Glycoside
GD120304
Name:
SyphonosideFormula:
C38H58O17Smiles:
CC1=CCOC(=O)CC(C)(O)CC(=O)OCC2OC(OC(=O)C3=CCCC4C3(C)CCC(C)C4(C)C(OC3OC(CO)C(O)C(O)C3O)C1)C(O)C(O)C2OAglycone:
CC1=CCOC(=O)CC(C)(O)CC(=O)OCC2OC(OC(=O)C3=CCCC4C3(C)CCC(C)C4(C)C(O)C1)C(O)C(O)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 786.87 | Num_heavy_atoms: | 55 |
| TPSA: | 268.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD48314
Formula: C32H48O12
Smiles:
CC1=CCOC(=O)CC(C)(O)CC(=O)OCC2OC(OC(=O)C3=CCCC4C3(C)CCC(C)C4(C)C(O)C1)C(O)C(O)C2O| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 0 |
| MolWt: | 624.72 | Num_heavy_atoms: | 44 |
| TPSA: | 189.28 | NumAromaticRings: | 0 |
