Showing NP-Card for Acacetin-7-O-[3″″,6″″-di-O-acetyl-β-d-glucopyranosyl(1″″→2″)-4‴-O-acetyl-α-l-rhamnopyranosyl(1‴→6″)]-β-d-glucopyranoside (NP0353280)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2026-02-19 20:50:03 UTC | |||||||||||||||
| Updated at | 2026-02-20 00:01:50 UTC | |||||||||||||||
| NP-MRD ID | NP0353280 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/7732 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | Acacetin-7-O-[3″″,6″″-di-O-acetyl-β-d-glucopyranosyl(1″″→2″)-4‴-O-acetyl-α-l-rhamnopyranosyl(1‴→6″)]-β-d-glucopyranoside | |||||||||||||||
| Description | Acacetin-7-O-[3″″,6″″-di-O-acetyl-β-d-glucopyranosyl(1″″→2″)-4‴-O-acetyl-α-l-rhamnopyranosyl(1‴→6″)]-β-d-glucopyranoside was first documented in 2020 (PMID: 32991171). | |||||||||||||||
| Structure |  MOL for NP0353280 (Acacetin-7-O-[3″″,6″″-di-O-acetyl-β-d-glucopyranosyl(1″″→2″)-4‴-O-acetyl-α-l-rhamnopyranosyl(1‴→6″)]-β-d-glucopyranoside)
Mrv2104 03202318022D
62 67 0 0 1 0 999 V2000
-4.2868 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8579 2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8579 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 1.2375 0.0000 C 0 0 1 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
-5.0013 1.2375 0.0000 O 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
-5.7158 0.0000 0.0000 C 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
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-2.1434 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1434 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8579 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
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-2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.2375 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
1.4289 -2.4750 0.0000 O 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
2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -0.4125 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
4.2868 0.8250 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 0.8250 0.0000 C 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
7.1447 0.8250 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 -0.4125 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
2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 1 0 0 0
2 3 1 0 0 0 0
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5 7 2 0 0 0 0
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8 9 1 1 0 0 0
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11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 15 2 0 0 0 0
10 16 1 0 0 0 0
17 16 1 0 0 0 0
8 17 1 0 0 0 0
17 18 1 6 0 0 0
19 18 1 1 0 0 0
19 20 1 0 0 0 0
20 21 1 6 0 0 0
20 22 1 0 0 0 0
22 23 1 1 0 0 0
22 24 1 0 0 0 0
24 25 1 6 0 0 0
25 26 1 0 0 0 0
27 26 1 6 0 0 0
28 27 1 0 0 0 0
28 29 1 1 0 0 0
28 30 1 0 0 0 0
30 31 1 1 0 0 0
30 32 1 0 0 0 0
32 33 1 6 0 0 0
33 34 1 0 0 0 0
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32 37 1 0 0 0 0
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51 52 2 0 0 0 0
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53 54 2 0 0 0 0
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50 59 2 0 0 0 0
48 60 2 0 0 0 0
45 60 1 0 0 0 0
60 61 1 0 0 0 0
59 61 1 0 0 0 0
61 62 2 0 0 0 0
M END
3D MOL for NP0353280 (Acacetin-7-O-[3″″,6″″-di-O-acetyl-β-d-glucopyranosyl(1″″→2″)-4‴-O-acetyl-α-l-rhamnopyranosyl(1‴→6″)]-β-d-glucopyranoside)3D SDF for NP0353280 (Acacetin-7-O-[3″″,6″″-di-O-acetyl-β-d-glucopyranosyl(1″″→2″)-4‴-O-acetyl-α-l-rhamnopyranosyl(1‴→6″)]-β-d-glucopyranoside)
Mrv2104 03202318022D
62 67 0 0 1 0 999 V2000
-4.2868 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8579 2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8579 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 1.2375 0.0000 C 0 0 1 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
-5.0013 1.2375 0.0000 O 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
-5.7158 0.0000 0.0000 C 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
-2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1434 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8579 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8579 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
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-2.8579 -4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
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-2.1434 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.2375 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
1.4289 -2.4750 0.0000 O 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
2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -0.4125 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
4.2868 0.8250 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 0.8250 0.0000 C 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
7.1447 0.8250 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 -0.4125 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
2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 1 0 0 0
2 3 1 0 0 0 0
3 4 1 6 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
5 7 2 0 0 0 0
3 8 1 0 0 0 0
8 9 1 1 0 0 0
2 10 1 0 0 0 0
10 11 1 6 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 15 2 0 0 0 0
10 16 1 0 0 0 0
17 16 1 0 0 0 0
8 17 1 0 0 0 0
17 18 1 6 0 0 0
19 18 1 1 0 0 0
19 20 1 0 0 0 0
20 21 1 6 0 0 0
20 22 1 0 0 0 0
22 23 1 1 0 0 0
22 24 1 0 0 0 0
24 25 1 6 0 0 0
25 26 1 0 0 0 0
27 26 1 6 0 0 0
28 27 1 0 0 0 0
28 29 1 1 0 0 0
28 30 1 0 0 0 0
30 31 1 1 0 0 0
30 32 1 0 0 0 0
32 33 1 6 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
34 36 2 0 0 0 0
32 37 1 0 0 0 0
37 38 1 1 0 0 0
37 39 1 0 0 0 0
27 39 1 0 0 0 0
24 40 1 0 0 0 0
41 40 1 0 0 0 0
19 41 1 0 0 0 0
41 42 1 6 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
43 47 2 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
54 57 1 0 0 0 0
57 58 2 0 0 0 0
51 58 1 0 0 0 0
50 59 2 0 0 0 0
48 60 2 0 0 0 0
45 60 1 0 0 0 0
60 61 1 0 0 0 0
59 61 1 0 0 0 0
61 62 2 0 0 0 0
M END
> <DATABASE_ID>
NP0353280
> <DATABASE_NAME>
NP-MRD
> <SMILES>
COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]1O)C=C2O
> <INCHI_IDENTIFIER>
InChI=1S/C40H48O22/c1-15-35(56-17(3)42)32(49)33(50)38(55-15)54-14-26-29(46)31(48)37(62-39-34(51)36(57-18(4)43)30(47)27(60-39)13-53-16(2)41)40(61-26)58-21-10-22(44)28-23(45)12-24(59-25(28)11-21)19-6-8-20(52-5)9-7-19/h6-12,15,26-27,29-40,44,46-51H,13-14H2,1-5H3/t15-,26+,27+,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+,39-,40+/m0/s1
> <INCHI_KEY>
LVOGUHTYJUNQSC-AIUGDTPHSA-N
> <FORMULA>
C40H48O22
> <MOLECULAR_WEIGHT>
880.802
> <EXACT_MASS>
880.263723186
$$$$
3D-SDF for NP0353280 (Acacetin-7-O-[3″″,6″″-di-O-acetyl-β-d-glucopyranosyl(1″″→2″)-4‴-O-acetyl-α-l-rhamnopyranosyl(1‴→6″)]-β-d-glucopyranoside)PDB for NP0353280 (Acacetin-7-O-[3″″,6″″-di-O-acetyl-β-d-glucopyranosyl(1″″→2″)-4‴-O-acetyl-α-l-rhamnopyranosyl(1‴→6″)]-β-d-glucopyranoside)HEADER PROTEIN 20-MAR-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-MAR-23 0 HETATM 1 O UNK 0 -8.002 4.620 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 -6.668 3.850 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -5.335 4.620 0.000 0.00 0.00 C+0 HETATM 4 O UNK 0 -5.335 6.160 0.000 0.00 0.00 O+0 HETATM 5 C UNK 0 -6.668 6.930 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -8.002 6.160 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 -6.668 8.470 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 -4.001 3.850 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 -2.667 4.620 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 -6.668 2.310 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 O UNK 0 -9.336 2.310 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 -10.669 1.540 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -10.669 0.000 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 -12.003 2.310 0.000 0.00 0.00 O+0 HETATM 16 O UNK 0 -5.335 1.540 0.000 0.00 0.00 O+0 HETATM 17 C UNK 0 -4.001 2.310 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 -2.667 1.540 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 -2.667 0.000 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 -5.335 -0.000 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 -4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 -5.335 -3.080 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 -2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -2.667 -4.620 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 -4.001 -5.390 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 -4.001 -6.930 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -5.335 -7.700 0.000 0.00 0.00 C+0 HETATM 29 O UNK 0 -6.668 -6.930 0.000 0.00 0.00 O+0 HETATM 30 C UNK 0 -5.335 -9.240 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 -6.668 -10.010 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 -4.001 -10.010 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 -4.001 -11.550 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 -5.335 -12.320 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -5.335 -13.860 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 -6.668 -11.550 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 -2.667 -9.240 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -1.334 -10.010 0.000 0.00 0.00 C+0 HETATM 39 O UNK 0 -2.667 -7.700 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 -1.334 -2.310 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 -1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 0.000 0.000 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 46 O UNK 0 2.667 -4.620 0.000 0.00 0.00 O+0 HETATM 47 C UNK 0 2.667 0.000 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 5.335 0.000 0.000 0.00 0.00 O+0 HETATM 50 C UNK 0 6.668 -0.770 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 8.002 -0.000 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 8.002 1.540 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 9.336 2.310 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 10.669 1.540 0.000 0.00 0.00 C+0 HETATM 55 O UNK 0 12.003 2.310 0.000 0.00 0.00 O+0 HETATM 56 C UNK 0 13.337 1.540 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 10.669 -0.000 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 9.336 -0.770 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 6.668 -2.310 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 5.335 -3.080 0.000 0.00 0.00 C+0 HETATM 62 O UNK 0 5.335 -4.620 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 10 CONECT 3 2 4 8 CONECT 4 3 5 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 CONECT 8 3 9 17 CONECT 9 8 CONECT 10 2 11 16 CONECT 11 10 12 CONECT 12 11 13 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 CONECT 16 10 17 CONECT 17 16 8 18 CONECT 18 17 19 CONECT 19 18 20 41 CONECT 20 19 21 22 CONECT 21 20 CONECT 22 20 23 24 CONECT 23 22 CONECT 24 22 25 40 CONECT 25 24 26 CONECT 26 25 27 CONECT 27 26 28 39 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 31 32 CONECT 31 30 CONECT 32 30 33 37 CONECT 33 32 34 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 CONECT 37 32 38 39 CONECT 38 37 CONECT 39 37 27 CONECT 40 24 41 CONECT 41 40 19 42 CONECT 42 41 43 CONECT 43 42 44 47 CONECT 44 43 45 CONECT 45 44 46 60 CONECT 46 45 CONECT 47 43 48 CONECT 48 47 49 60 CONECT 49 48 50 CONECT 50 49 51 59 CONECT 51 50 52 58 CONECT 52 51 53 CONECT 53 52 54 CONECT 54 53 55 57 CONECT 55 54 56 CONECT 56 55 CONECT 57 54 58 CONECT 58 57 51 CONECT 59 50 61 CONECT 60 48 45 61 CONECT 61 60 59 62 CONECT 62 61 MASTER 0 0 0 0 0 0 0 0 62 0 134 0 END 3D PDB for NP0353280 (Acacetin-7-O-[3″″,6″″-di-O-acetyl-β-d-glucopyranosyl(1″″→2″)-4‴-O-acetyl-α-l-rhamnopyranosyl(1‴→6″)]-β-d-glucopyranoside)SMILES for NP0353280 (Acacetin-7-O-[3″″,6″″-di-O-acetyl-β-d-glucopyranosyl(1″″→2″)-4‴-O-acetyl-α-l-rhamnopyranosyl(1‴→6″)]-β-d-glucopyranoside)COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]1O)C=C2O INCHI for NP0353280 (Acacetin-7-O-[3″″,6″″-di-O-acetyl-β-d-glucopyranosyl(1″″→2″)-4‴-O-acetyl-α-l-rhamnopyranosyl(1‴→6″)]-β-d-glucopyranoside)InChI=1S/C40H48O22/c1-15-35(56-17(3)42)32(49)33(50)38(55-15)54-14-26-29(46)31(48)37(62-39-34(51)36(57-18(4)43)30(47)27(60-39)13-53-16(2)41)40(61-26)58-21-10-22(44)28-23(45)12-24(59-25(28)11-21)19-6-8-20(52-5)9-7-19/h6-12,15,26-27,29-40,44,46-51H,13-14H2,1-5H3/t15-,26+,27+,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+,39-,40+/m0/s1 Structure for NP0353280 (Acacetin-7-O-[3″″,6″″-di-O-acetyl-β-d-glucopyranosyl(1″″→2″)-4‴-O-acetyl-α-l-rhamnopyranosyl(1‴→6″)]-β-d-glucopyranoside)
3D Structure for NP0353280 (Acacetin-7-O-[3″″,6″″-di-O-acetyl-β-d-glucopyranosyl(1″″→2″)-4‴-O-acetyl-α-l-rhamnopyranosyl(1‴→6″)]-β-d-glucopyranoside) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C40H48O22 | |||||||||||||||
| Average Mass | 880.8020 Da | |||||||||||||||
| Monoisotopic Mass | 880.26372 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]1O)C=C2O | |||||||||||||||
| InChI Identifier | InChI=1S/C40H48O22/c1-15-35(56-17(3)42)32(49)33(50)38(55-15)54-14-26-29(46)31(48)37(62-39-34(51)36(57-18(4)43)30(47)27(60-39)13-53-16(2)41)40(61-26)58-21-10-22(44)28-23(45)12-24(59-25(28)11-21)19-6-8-20(52-5)9-7-19/h6-12,15,26-27,29-40,44,46-51H,13-14H2,1-5H3/t15-,26+,27+,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+,39-,40+/m0/s1 | |||||||||||||||
| InChI Key | LVOGUHTYJUNQSC-AIUGDTPHSA-N | |||||||||||||||
| Experimental Spectra | ||||||||||||||||
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| Predicted Spectra | ||||||||||||||||
| Not Available | ||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||
| Not Available | ||||||||||||||||
| Species | ||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||
| Classification | Not classified | |||||||||||||||
| Physical Properties | ||||||||||||||||
| State | Not Available | |||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||
| External Links | Not Available | |||||||||||||||
| References | ||||||||||||||||
| General References | ||||||||||||||||
