Glycoside
GD156721
Name:
CandidosideFormula:
C52H86O21Smiles:
CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.96 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 11 |
| MolWt: | 1047.24 | Num_heavy_atoms: | 73 |
| TPSA: | 336.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD07473
Formula: C30H50O3
Smiles:
CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
