Glycoside
GD147128
Name:
Cilistol PFormula:
C34H54O12Smiles:
CC(C1CC(C)(O)C(C)(O)C(OC2OC(CO)C(O)C(O)C2O)O1)C1(O)CCC2C3CC(O)C45CC4CC(=O)C5(C)C3CCC21CAglycone:
CCC1(O)CCC2C3CC(O)C45CC4CC(=O)C5(C)C3CCC21CSugarmoiety:
CC1(O)CC(O)OC(OC2OC(CO)C(O)C(O)C2O)C1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 654.79 | Num_heavy_atoms: | 46 |
| TPSA: | 206.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD58928
Formula: C21H32O3
Smiles:
CCC1(O)CCC2C3CC(O)C45CC4CC(=O)C5(C)C3CCC21C| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 332.48 | Num_heavy_atoms: | 24 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
