Glycoside
GD141468
Name:
3-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl)oxy]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-chromen-4-oneFormula:
C35H44O23Smiles:
COc1ccc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2OC2OCC(OC3OC(CO)C(OC4OC(OC)C(O)C(O)C4O)C(O)C3O)C(O)C2O)cc1OAglycone:
COc1ccc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2O)cc1OSugarmoiety:
COC1OC(OC2C(CO)OC(OC3COC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.57 |
| AlogP: | -3.32 | Num_rotatable_bonds: | 12 |
| MolWt: | 832.71 | Num_heavy_atoms: | 58 |
| TPSA: | 345.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD45407
Formula: C18H16O9
Smiles:
COc1ccc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2O)cc1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 376.32 | Num_heavy_atoms: | 27 |
| TPSA: | 138.82 | NumAromaticRings: | 3 |
