Glycoside
GD146222
Name:
DiphyllinFormula:
C34H38O16Smiles:
COc1cc2c(OC3OC(CO)C(OC4OCC(O)C(OC)C4OC)C(O)C3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Aglycone:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Sugarmoiety:
COC1C(O)COC(OC2C(CO)OC(O)C(O)C2O)C1OCOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 702.66 | Num_heavy_atoms: | 50 |
| TPSA: | 199.52 | 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 |
