Glycoside
GD153739
Name:
Albiziasaponin EFormula:
C53H80O24Smiles:
CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC8(C)CC(OC8=O)C7(C)CCC56C)C4(C)CO)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC12CC(OC1=O)C1(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C1C2Sugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 10 |
| HBD: | 12 | FractionCSP3: | 0.91 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 11 |
| MolWt: | 1101.2 | Num_heavy_atoms: | 77 |
| TPSA: | 377.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD22111
Formula: C30H46O4
Smiles:
CC12CC(OC1=O)C1(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C1C2| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 5.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
Sugarmoiety
SD10155
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O