Glycoside
GD149445
Name:
Cleistanthin EFormula:
C42H52O20Smiles:
COCC1OC(OC2COC(OC3C(CO)OC(Oc4c5c(c(-c6ccc7c(c6)OCO7)c6cc(OC)c(OC)cc46)C(=O)OC5)C(O)C3O)C(OC)C2OC)C(OC)C1OCAglycone:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Sugarmoiety:
COCC1OC(OC2COC(OC3C(CO)OC(O)C(O)C3O)C(OC)C2OC)C(OC)C1OCOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 16 |
| MolWt: | 876.86 | Num_heavy_atoms: | 62 |
| TPSA: | 225.44 | 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 |
