Glycoside
GD152993
Name:
Bacopaside IiFormula:
C47H76O18Smiles:
CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C6O)C(C)(C)C5CCC24C)C3C1(C)OAglycone:
CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(O)C(C)(C)C5CCC24C)C3C1(C)OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 10 |
| MolWt: | 929.11 | Num_heavy_atoms: | 65 |
| TPSA: | 276.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD02018
Formula: C30H48O4
Smiles:
CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(O)C(C)(C)C5CCC24C)C3C1(C)O| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
