Glycoside
GD139668
Name:
Albiziasaponin CFormula:
C52H82O22Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C23CC1OC3=OAglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C23CC1OC3=OSugarmoiety:
OCC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 10 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 10 |
| MolWt: | 1059.21 | Num_heavy_atoms: | 74 |
| TPSA: | 342.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD04468
Formula: C30H46O4
Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C23CC1OC3=O| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 5.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
