Glycoside
GD127413
Name:
4-O-(3''-O-Methyl-Beta-D-Glucopyranosyl)-DiphyllinFormula:
C28H28O12Smiles:
COc1cc2c(OC3OC(CO)C(O)C(OC)C3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Aglycone:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Sugarmoiety:
COC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 556.52 | Num_heavy_atoms: | 40 |
| TPSA: | 151.6 | 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 |
