Showing NP-Card for 7-Hydroxy-1,4,5-trimethoxyxanthone 7-O-[b-D-glucosyl-(1->2)-b-D-galactoside] (NP0336281)
Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2024-09-11 05:31:50 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2024-09-11 05:31:50 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0336281 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | 7-Hydroxy-1,4,5-trimethoxyxanthone 7-O-[b-D-glucosyl-(1->2)-b-D-galactoside] | |||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0336281 (7-Hydroxy-1,4,5-trimethoxyxanthone 7-O-[b-D-glucosyl-(1->2)-b-D-galactoside])Mrv2104 05262308042D 44 48 0 0 0 0 999 V2000 2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 4 2 0 0 0 0 10 6 2 0 0 0 0 10 7 1 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 7 2 0 0 0 0 15 8 1 0 0 0 0 16 9 1 0 0 0 0 17 12 2 0 0 0 0 18 11 1 0 0 0 0 18 17 1 0 0 0 0 19 15 1 0 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 11 2 0 0 0 0 24 14 1 0 0 0 0 25 13 2 0 0 0 0 25 17 1 0 0 0 0 26 22 1 0 0 0 0 27 23 1 0 0 0 0 28 26 1 0 0 0 0 29 8 1 0 0 0 0 30 9 1 0 0 0 0 31 18 2 0 0 0 0 32 19 1 0 0 0 0 33 20 1 0 0 0 0 34 21 1 0 0 0 0 35 22 1 0 0 0 0 36 23 1 0 0 0 0 37 1 1 0 0 0 0 37 12 1 0 0 0 0 38 2 1 0 0 0 0 38 13 1 0 0 0 0 39 3 1 0 0 0 0 39 14 1 0 0 0 0 40 10 1 0 0 0 0 40 28 1 0 0 0 0 41 15 1 0 0 0 0 41 27 1 0 0 0 0 42 16 1 0 0 0 0 42 28 1 0 0 0 0 43 24 1 0 0 0 0 43 25 1 0 0 0 0 44 26 1 0 0 0 0 44 27 1 0 0 0 0 M END 3D MOL for NP0336281 (7-Hydroxy-1,4,5-trimethoxyxanthone 7-O-[b-D-glucosyl-(1->2)-b-D-galactoside])3D SDF for NP0336281 (7-Hydroxy-1,4,5-trimethoxyxanthone 7-O-[b-D-glucosyl-(1->2)-b-D-galactoside])Mrv2104 05262308042D 44 48 0 0 0 0 999 V2000 2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 4 2 0 0 0 0 10 6 2 0 0 0 0 10 7 1 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 7 2 0 0 0 0 15 8 1 0 0 0 0 16 9 1 0 0 0 0 17 12 2 0 0 0 0 18 11 1 0 0 0 0 18 17 1 0 0 0 0 19 15 1 0 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 11 2 0 0 0 0 24 14 1 0 0 0 0 25 13 2 0 0 0 0 25 17 1 0 0 0 0 26 22 1 0 0 0 0 27 23 1 0 0 0 0 28 26 1 0 0 0 0 29 8 1 0 0 0 0 30 9 1 0 0 0 0 31 18 2 0 0 0 0 32 19 1 0 0 0 0 33 20 1 0 0 0 0 34 21 1 0 0 0 0 35 22 1 0 0 0 0 36 23 1 0 0 0 0 37 1 1 0 0 0 0 37 12 1 0 0 0 0 38 2 1 0 0 0 0 38 13 1 0 0 0 0 39 3 1 0 0 0 0 39 14 1 0 0 0 0 40 10 1 0 0 0 0 40 28 1 0 0 0 0 41 15 1 0 0 0 0 41 27 1 0 0 0 0 42 16 1 0 0 0 0 42 28 1 0 0 0 0 43 24 1 0 0 0 0 43 25 1 0 0 0 0 44 26 1 0 0 0 0 44 27 1 0 0 0 0 M END > <DATABASE_ID> NP0336281 > <DATABASE_NAME> NP-MRD > <SMILES> COC1=CC(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)=CC2=C1OC1=C(OC)C=CC(OC)=C1C2=O > <INCHI_IDENTIFIER> InChI=1/C28H34O16/c1-37-12-4-5-13(38-2)25-17(12)18(31)11-6-10(7-14(39-3)24(11)43-25)40-28-26(22(35)20(33)16(9-30)42-28)44-27-23(36)21(34)19(32)15(8-29)41-27/h4-7,15-16,19-23,26-30,32-36H,8-9H2,1-3H3 > <INCHI_KEY> MVCRPAXAMRBATF-UHFFFAOYNA-N > <FORMULA> C28H34O16 > <MOLECULAR_WEIGHT> 626.564 > <EXACT_MASS> 626.184685015 > <JCHEM_ACCEPTOR_COUNT> 15 > <JCHEM_ATOM_COUNT> 78 > <JCHEM_AVERAGE_POLARIZABILITY> 61.526108348985225 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 7 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1,4,5-trimethoxy-9H-xanthen-9-one > <JCHEM_LOGP> -1.8558426373333334 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 5 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 12.700390240742182 > <JCHEM_PKA_STRONGEST_ACIDIC> 12.089748572437266 > <JCHEM_PKA_STRONGEST_BASIC> -2.981083576692617 > <JCHEM_POLAR_SURFACE_AREA> 232.51999999999992 > <JCHEM_REFRACTIVITY> 142.7445 > <JCHEM_ROTATABLE_BOND_COUNT> 9 > <JCHEM_RULE_OF_FIVE> 0 > <JCHEM_TRADITIONAL_IUPAC> 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1,4,5-trimethoxyxanthen-9-one > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0336281 (7-Hydroxy-1,4,5-trimethoxyxanthone 7-O-[b-D-glucosyl-(1->2)-b-D-galactoside])PDB for NP0336281 (7-Hydroxy-1,4,5-trimethoxyxanthone 7-O-[b-D-glucosyl-(1->2)-b-D-galactoside])HEADER PROTEIN 26-MAY-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 26-MAY-23 0 HETATM 1 C UNK 0 5.335 4.620 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 8.002 -3.080 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 2.667 1.540 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 2.667 0.000 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 9.336 2.310 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 10.669 0.000 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 9.336 3.850 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 14.671 -2.310 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 10.669 1.540 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 8.002 1.540 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 4.001 2.310 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 9.336 -0.770 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 10.669 4.620 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 14.671 -0.770 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 5.335 1.540 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 6.668 2.310 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 10.669 6.160 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 16.004 0.000 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 12.003 6.930 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 16.004 1.540 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 13.337 6.160 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 8.002 0.000 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 5.335 0.000 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 14.671 2.310 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 13.337 4.620 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 13.337 1.540 0.000 0.00 0.00 C+0 HETATM 29 O UNK 0 8.002 4.620 0.000 0.00 0.00 O+0 HETATM 30 O UNK 0 16.004 -3.080 0.000 0.00 0.00 O+0 HETATM 31 O UNK 0 6.668 3.850 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 9.336 6.930 0.000 0.00 0.00 O+0 HETATM 33 O UNK 0 17.338 -0.770 0.000 0.00 0.00 O+0 HETATM 34 O UNK 0 12.003 8.470 0.000 0.00 0.00 O+0 HETATM 35 O UNK 0 17.338 2.310 0.000 0.00 0.00 O+0 HETATM 36 O UNK 0 14.671 6.930 0.000 0.00 0.00 O+0 HETATM 37 O UNK 0 4.001 3.850 0.000 0.00 0.00 O+0 HETATM 38 O UNK 0 4.001 -2.310 0.000 0.00 0.00 O+0 HETATM 39 O UNK 0 9.336 -2.310 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 12.003 2.310 0.000 0.00 0.00 O+0 HETATM 41 O UNK 0 12.003 3.850 0.000 0.00 0.00 O+0 HETATM 42 O UNK 0 13.337 0.000 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 6.668 -0.770 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 14.671 3.850 0.000 0.00 0.00 O+0 CONECT 1 37 CONECT 2 38 CONECT 3 39 CONECT 4 5 12 CONECT 5 4 13 CONECT 6 10 11 CONECT 7 10 14 CONECT 8 15 29 CONECT 9 16 30 CONECT 10 6 7 40 CONECT 11 6 18 24 CONECT 12 4 17 37 CONECT 13 5 25 38 CONECT 14 7 24 39 CONECT 15 8 19 41 CONECT 16 9 20 42 CONECT 17 12 18 25 CONECT 18 11 17 31 CONECT 19 15 21 32 CONECT 20 16 22 33 CONECT 21 19 23 34 CONECT 22 20 26 35 CONECT 23 21 27 36 CONECT 24 11 14 43 CONECT 25 13 17 43 CONECT 26 22 28 44 CONECT 27 23 41 44 CONECT 28 26 40 42 CONECT 29 8 CONECT 30 9 CONECT 31 18 CONECT 32 19 CONECT 33 20 CONECT 34 21 CONECT 35 22 CONECT 36 23 CONECT 37 1 12 CONECT 38 2 13 CONECT 39 3 14 CONECT 40 10 28 CONECT 41 15 27 CONECT 42 16 28 CONECT 43 24 25 CONECT 44 26 27 MASTER 0 0 0 0 0 0 0 0 44 0 96 0 END 3D PDB for NP0336281 (7-Hydroxy-1,4,5-trimethoxyxanthone 7-O-[b-D-glucosyl-(1->2)-b-D-galactoside])SMILES for NP0336281 (7-Hydroxy-1,4,5-trimethoxyxanthone 7-O-[b-D-glucosyl-(1->2)-b-D-galactoside])COC1=CC(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)=CC2=C1OC1=C(OC)C=CC(OC)=C1C2=O INCHI for NP0336281 (7-Hydroxy-1,4,5-trimethoxyxanthone 7-O-[b-D-glucosyl-(1->2)-b-D-galactoside])InChI=1/C28H34O16/c1-37-12-4-5-13(38-2)25-17(12)18(31)11-6-10(7-14(39-3)24(11)43-25)40-28-26(22(35)20(33)16(9-30)42-28)44-27-23(36)21(34)19(32)15(8-29)41-27/h4-7,15-16,19-23,26-30,32-36H,8-9H2,1-3H3 Structure for NP0336281 (7-Hydroxy-1,4,5-trimethoxyxanthone 7-O-[b-D-glucosyl-(1->2)-b-D-galactoside])3D Structure for NP0336281 (7-Hydroxy-1,4,5-trimethoxyxanthone 7-O-[b-D-glucosyl-(1->2)-b-D-galactoside]) | |||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C28H34O16 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 626.5640 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 626.18469 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1,4,5-trimethoxy-9H-xanthen-9-one | |||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1,4,5-trimethoxyxanthen-9-one | |||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | COC1=CC(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)=CC2=C1OC1=C(OC)C=CC(OC)=C1C2=O | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1/C28H34O16/c1-37-12-4-5-13(38-2)25-17(12)18(31)11-6-10(7-14(39-3)24(11)43-25)40-28-26(22(35)20(33)16(9-30)42-28)44-27-23(36)21(34)19(32)15(8-29)41-27/h4-7,15-16,19-23,26-30,32-36H,8-9H2,1-3H3 | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | MVCRPAXAMRBATF-UHFFFAOYNA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
General References | Not Available |