Glycoside
GD119083
Name:
Basellasaponin CFormula:
C47H68O22Smiles:
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)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)O)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.85 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 11 |
| MolWt: | 985.04 | Num_heavy_atoms: | 69 |
| TPSA: | 352.26 | NumAromaticRings: | 0 |
Unique Aglycone
AD47669
Formula: C41H58O17
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)O)C5CCC43C)C2C1| HBA: | 17 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 822.9 | Num_heavy_atoms: | 58 |
| TPSA: | 273.11 | NumAromaticRings: | 0 |
