NP-MRD: Showing NP-Card for 4,5-dihydroxy-6-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl}oxy)-2-methyloxan-3-yl acetate (NP0319406)

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Record Information

Version

2.0

Created at

2022-09-11 20:24:57 UTC

Updated at

2022-09-11 20:24:58 UTC

NP-MRD ID

NP0319406

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4,5-dihydroxy-6-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl}oxy)-2-methyloxan-3-yl acetate

Description

4,5-Dihydroxy-6-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]Icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl}oxy)-2-methyloxan-3-yl acetate belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative. 4,5-dihydroxy-6-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl}oxy)-2-methyloxan-3-yl acetate is found in Sansevieria trifasciata. 4,5-Dihydroxy-6-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]Icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl}oxy)-2-methyloxan-3-yl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004191515192D          

 63 71  0  0  0  0            999 V2000
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M  END


  Mrv1533004191515192D          

 63 71  0  0  0  0            999 V2000
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 55 57  1  0  0  0  0
 57 58  1  0  0  0  0
 57 59  1  0  0  0  0
  2 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 61 62  2  0  0  0  0
 61 63  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0319406

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1C2C(CC3C4CC=C5CC(O)CC(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(C)C(OC(C)=O)C(O)C6O)C5(C)C4CCC23C)OC11OCC(=C)CC1O

> <INCHI_IDENTIFIER>
InChI=1S/C45H68O18/c1-18-11-30(50)45(57-15-18)19(2)32-29(63-45)14-26-24-8-7-22-12-23(47)13-31(44(22,6)25(24)9-10-43(26,32)5)60-42-39(62-41-36(54)34(52)37(20(3)58-41)59-21(4)46)38(28(49)17-56-42)61-40-35(53)33(51)27(48)16-55-40/h7,19-20,23-42,47-54H,1,8-17H2,2-6H3

> <INCHI_KEY>
IFRBWMPNJRIBIZ-UHFFFAOYSA-N

> <FORMULA>
C45H68O18

> <MOLECULAR_WEIGHT>
897.021

> <EXACT_MASS>
896.44056535

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_ATOM_COUNT>
131

> <JCHEM_AVERAGE_POLARIZABILITY>
94.07777472127896

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4,5-dihydroxy-6-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl}oxy)-2-methyloxan-3-yl acetate

> <ALOGPS_LOGP>
0.35

> <JCHEM_LOGP>
-0.0559955169999988

> <ALOGPS_LOGS>
-3.03

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.41861330985575

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.91403855862107

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7504752716130296

> <JCHEM_POLAR_SURFACE_AREA>
261.97999999999996

> <JCHEM_REFRACTIVITY>
215.61210000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.44e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,5-dihydroxy-6-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl}oxy)-2-methyloxan-3-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0       4.555   6.896   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.017   6.807   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       2.326   5.430   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       0.789   5.341   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       0.097   3.965   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -1.440   3.875   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.131   2.499   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -1.285   1.212   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.976  -0.164   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.514  -0.253   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.205  -1.629   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -5.742  -1.719   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -3.359  -2.916   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.821  -2.827   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.975  -4.113   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.562  -4.024   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.254  -2.648   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.407  -1.361   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.099   0.015   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.636   0.105   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.482  -1.182   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.313   0.114   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.791  -2.558   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.886  -3.641   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.254  -2.934   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       6.777  -3.166   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       7.468  -1.790   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       8.012  -0.349   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       9.531  -0.099   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.507  -1.290   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      12.027  -1.041   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.964  -2.731   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       8.444  -2.981   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       7.900  -4.422   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       6.373  -0.707   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       6.605   0.815   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.005  -1.414   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -1.130  -1.451   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -0.439  -0.074   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -3.669   2.410   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      -4.515   3.696   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -3.824   5.072   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      -4.670   6.359   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      -2.286   5.162   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      -1.595   6.538   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      -2.441   7.825   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      -1.750   9.201   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0      -2.596  10.488   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      -4.134  10.398   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      -4.980  11.685   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0      -4.825   9.022   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      -6.362   8.932   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      -3.979   7.735   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0      -5.347   7.028   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0      -0.058   6.628   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0      -1.354   7.459   0.000  0.00  0.00           O+0
HETATM   57  C   UNK     0       0.634   8.004   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0      -0.213   9.290   0.000  0.00  0.00           O+0
HETATM   59  C   UNK     0       2.171   8.093   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0       2.862   9.469   0.000  0.00  0.00           O+0
HETATM   61  C   UNK     0       4.400   9.559   0.000  0.00  0.00           C+0
HETATM   62  O   UNK     0       5.091  10.935   0.000  0.00  0.00           O+0
HETATM   63  C   UNK     0       5.246   8.272   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   59                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   55                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   44                                                  
CONECT    7    6    8   40                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   38                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   38                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   23                                                  
CONECT   18   17   19   38                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23   37                                             
CONECT   22   21                                                            
CONECT   23   21   17   24                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   37                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   33   35                                             
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   27   34                                                  
CONECT   34   33                                                            
CONECT   35   27   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   21   25                                                  
CONECT   38   18    9   14   39                                             
CONECT   39   38                                                            
CONECT   40    7   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42    6   45                                                  
CONECT   45   44   46                                                       
CONECT   46   45   47   53                                                  
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49   52   53                                                  
CONECT   52   51                                                            
CONECT   53   51   46   54                                                  
CONECT   54   53                                                            
CONECT   55    4   56   57                                                  
CONECT   56   55                                                            
CONECT   57   55   58   59                                                  
CONECT   58   57                                                            
CONECT   59   57    2   60                                                  
CONECT   60   59   61                                                       
CONECT   61   60   62   63                                                  
CONECT   62   61                                                            
CONECT   63   61                                                            
MASTER        0    0    0    0    0    0    0    0   63    0  142    0
END

View in JSmol

Synonyms

Value	Source
4,5-Dihydroxy-6-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0,.0,.0,]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl}oxy)-2-methyloxan-3-yl acetic acid	Generator
4,5-Dihydroxy-6-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl}oxy)-2-methyloxan-3-yl acetic acid	Generator

Chemical Formula

C₄₅H₆₈O₁₈

Average Mass

897.0210 Da

Monoisotopic Mass

896.44057 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

CC1C2C(CC3C4CC=C5CC(O)CC(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(C)C(OC(C)=O)C(O)C6O)C5(C)C4CCC23C)OC11OCC(=C)CC1O

InChI Identifier

InChI=1S/C45H68O18/c1-18-11-30(50)45(57-15-18)19(2)32-29(63-45)14-26-24-8-7-22-12-23(47)13-31(44(22,6)25(24)9-10-43(26,32)5)60-42-39(62-41-36(54)34(52)37(20(3)58-41)59-21(4)46)38(28(49)17-56-42)61-40-35(53)33(51)27(48)16-55-40/h7,19-20,23-42,47-54H,1,8-17H2,2-6H3

InChI Key

IFRBWMPNJRIBIZ-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Sansevieria trifasciata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroidal glycosides

Direct Parent

Steroidal saponins

Alternative Parents

Substituents

Steroidal saponin
Triterpenoid
Spirostane skeleton
23-hydroxysteroid
3-hydroxy-delta-5-steroid
3-hydroxysteroid
Hydroxysteroid
Delta-5-steroid
Disaccharide
Glycosyl compound
O-glycosyl compound
Ketal
Oxane
Cyclic alcohol
Tetrahydrofuran
Secondary alcohol
Carboxylic acid ester
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Acetal
Polyol
Organic oxide
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Alcohol
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	0.35	ALOGPS
logP	-0.056	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	11.91	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	261.98 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	215.61 m³·mol⁻¹	ChemAxon
Polarizability	94.08 Å³	ChemAxon
Number of Rings	9	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4,5-dihydroxy-6-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl}oxy)-2-methyloxan-3-yl acetate (NP0319406)

MOL for NP0319406 (4,5-dihydroxy-6-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl}oxy)-2-methyloxan-3-yl acetate)

3D MOL for NP0319406 (4,5-dihydroxy-6-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl}oxy)-2-methyloxan-3-yl acetate)

3D SDF for NP0319406 (4,5-dihydroxy-6-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl}oxy)-2-methyloxan-3-yl acetate)

3D-SDF for NP0319406 (4,5-dihydroxy-6-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl}oxy)-2-methyloxan-3-yl acetate)

PDB for NP0319406 (4,5-dihydroxy-6-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl}oxy)-2-methyloxan-3-yl acetate)

3D PDB for NP0319406 (4,5-dihydroxy-6-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl}oxy)-2-methyloxan-3-yl acetate)

SMILES for NP0319406 (4,5-dihydroxy-6-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl}oxy)-2-methyloxan-3-yl acetate)

INCHI for NP0319406 (4,5-dihydroxy-6-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl}oxy)-2-methyloxan-3-yl acetate)

Structure for NP0319406 (4,5-dihydroxy-6-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl}oxy)-2-methyloxan-3-yl acetate)

3D Structure for NP0319406 (4,5-dihydroxy-6-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl}oxy)-2-methyloxan-3-yl acetate)