Glycoside
GD116225
Name:
Colocynthoside BFormula:
C42H62O15Smiles:
CC(=CC1CC(C)(O)C2C(CC3(C)C4CC=C5C(C=C(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(=O)C5(C)C)C4(C)C(=O)CC23C)O1)COAglycone:
CC(=CC1CC(C)(O)C2C(CC3(C)C4CC=C5C(C=C(O)C(=O)C5(C)C)C4(C)C(=O)CC23C)O1)COSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.81 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 806.94 | Num_heavy_atoms: | 57 |
| TPSA: | 242.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD46115
Formula: C30H42O6
Smiles:
CC(=CC1CC(C)(O)C2C(CC3(C)C4CC=C5C(C=C(O)C(=O)C5(C)C)C4(C)C(=O)CC23C)O1)CO| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 4.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 498.66 | Num_heavy_atoms: | 36 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
