Glycoside
GD115648
Name:
Ilexsaponin A1Formula:
C36H56O11Smiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C2C1(C)OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C2C1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 664.83 | Num_heavy_atoms: | 47 |
| TPSA: | 194.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD45785
Formula: C30H46O6
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C2C1(C)O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
