Glycoside
GD123555
Name:
Cleistanthin AFormula:
C28H28O11Smiles:
COc1cc2c(-c3ccc4c(c3)OCO4)c3c(cc2c(OC2OCC(OC)C(OC)C2O)c1OC)COC3=OAglycone:
COc1cc2c(-c3ccc4c(c3)OCO4)c3c(cc2c(O)c1OC)COC3=OSugarmoiety:
COC1COC(O)C(O)C1OCOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.39 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 540.52 | Num_heavy_atoms: | 39 |
| TPSA: | 120.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD49879
Formula: C21H16O7
Smiles:
COc1cc2c(-c3ccc4c(c3)OCO4)c3c(cc2c(O)c1OC)COC3=O| 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 |
