Glycoside
GD020112
Name:
NoneFormula:
C31H34O12Smiles:
COC[C@@H]1O[C@H](Oc2c3c(c(-c4ccc5c(c4)OCO5)c4cc(OC)c(OC)cc24)C(=O)OC3)[C@H](OC)[C@H](OC)[C@H]1OCAglycone:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Sugarmoiety:
COCC1OC(O)C(OC)C(OC)C1OCOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 10 |
| MolWt: | 598.6 | Num_heavy_atoms: | 43 |
| TPSA: | 118.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD00663
Formula: C21H16O7
Smiles:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 380.35 | Num_heavy_atoms: | 28 |
| TPSA: | 83.45 | NumAromaticRings: | 3 |
