Glycoside
GD149985
Name:
4-(acetyloxy)-6-{[4-(acetyloxy)-6-[(2-carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-5-hydroxy-2-(methoxycarbonyl)oxan-3-yl]oxy}-3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-5-hydroxyoxane-2-carboxylic acidFormula:
C29H40O27Smiles:
COC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(OC(C)=O)C1OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(OC(C)=O)C1OAglycone:
[empty]Sugarmoiety:
COC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(OC(C)=O)C1OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.79 |
| AlogP: | -8.15 | Num_rotatable_bonds: | 12 |
| MolWt: | 820.61 | Num_heavy_atoms: | 56 |
| TPSA: | 417.25 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD09732
COC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(OC(C)=O)C1OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(OC(C)=O)C1O