Glycoside
GD156234
Name:
Oleaside EFormula:
C42H64O17Smiles:
COC1CC(OC2CCC3(C)C(CCC45CCC(C6=CC(=O)OC6)C(C)(CCC43)C5=O)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC12CCC3C(CCC1C1=CC(=O)OC1)(CCC1CC(O)CCC13C)C2=OSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 10 |
| MolWt: | 840.96 | Num_heavy_atoms: | 59 |
| TPSA: | 249.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD14558
Formula: C23H32O4
Smiles:
CC12CCC3C(CCC1C1=CC(=O)OC1)(CCC1CC(O)CCC13C)C2=O| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.51 | Num_heavy_atoms: | 27 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
