Glycoside
GD117744
Name:
Basellasaponin BFormula:
C47H68O21Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C7OC(O)(C(=O)O)C(OCC(=O)O)OC7C6O)C(C)(C=O)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C7OC(O)(C(=O)O)C(OCC(=O)O)OC7C6O)C(C)(C=O)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.85 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 11 |
| MolWt: | 969.04 | Num_heavy_atoms: | 68 |
| TPSA: | 332.03 | NumAromaticRings: | 0 |
Unique Aglycone
AD46985
Formula: C41H58O16
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C7OC(O)(C(=O)O)C(OCC(=O)O)OC7C6O)C(C)(C=O)C5CCC43C)C2C1| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 806.9 | Num_heavy_atoms: | 57 |
| TPSA: | 252.88 | NumAromaticRings: | 0 |
