Glycoside
GD153733
Name:
Cleistanthin DFormula:
C29H30O11Smiles:
COCC1OC(Oc2c3c(c(-c4ccc5c(c4)OCO5)c4cc(OC)c(OC)cc24)C(=O)OC3)C(OC)C1OCAglycone:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Sugarmoiety:
COCC1OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.41 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 9 |
| MolWt: | 554.55 | Num_heavy_atoms: | 40 |
| TPSA: | 109.37 | 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 |
