Glycoside
GD145461
Name:
bryonioside gFormula:
C42H68O13Smiles:
CC(CCC(=O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(C)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12CAglycone:
CC(CCC(=O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12CSugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 10 |
| MolWt: | 780.99 | Num_heavy_atoms: | 55 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD13638
Formula: C30H48O4
Smiles:
CC(CCC(=O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 5.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
