Glycoside
GD124190
Name:
Clethroidoside GFormula:
C47H76O18Smiles:
CC1(C)CCC2(C=O)C(O)CC3(C)C(C(=O)CC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(C=O)C(O)CC3(C)C(C(=O)CC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(OC2COC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 929.11 | Num_heavy_atoms: | 65 |
| TPSA: | 291.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD50151
Formula: C30H48O4
Smiles:
CC1(C)CCC2(C=O)C(O)CC3(C)C(C(=O)CC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
