Glycoside
GD123254
Name:
Acanthopanaxoside CFormula:
C41H64O13Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C(=O)O)CCC6(C(=O)O)CCC45C)C3(C)C)OCC(O)C2O)C(O)C(O)C1OAglycone:
CC1(C(=O)O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 764.95 | Num_heavy_atoms: | 54 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD14065
Formula: C30H46O5
Smiles:
CC1(C(=O)O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
