Glycoside
GD148962
Name:
forpinioside aFormula:
C43H68O11Smiles:
C=C(CCC(C(=O)OC1OCC(O)C(O)C1O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(=O)CC(C)(O)CC(=O)OC)C(C)(C)C1CC3)C(C)CAglycone:
C=C(CCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(=O)CC(C)(O)CC(=O)OC)C(C)(C)C1CC3)C(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 5.94 | Num_rotatable_bonds: | 12 |
| MolWt: | 761.01 | Num_heavy_atoms: | 54 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD59578
Formula: C38H60O7
Smiles:
C=C(CCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(=O)CC(C)(O)CC(=O)OC)C(C)(C)C1CC3)C(C)C| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 8.04 | Num_rotatable_bonds: | 11 |
| MolWt: | 628.89 | Num_heavy_atoms: | 45 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
