Glycoside
GD119898
Name:
Quadranoside XFormula:
C36H58O10Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=C2C1)CCC1C2(C)CC(O)C(O)C(C)(CO)C2CCC13CAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)CCC1C2(C)CC(O)C(O)C(C)(CO)C2CCC13CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 650.85 | Num_heavy_atoms: | 46 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD48109
Formula: C30H48O5
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)CCC1C2(C)CC(O)C(O)C(C)(CO)C2CCC13C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
