Glycoside
GD133070
Name:
bryonioside cFormula:
C44H72O14Smiles:
CC(=O)OC1C(C)OC(OC2CCC3C(=CCC4C3(C)C(=O)CC3(C)C(C(C)CCC(O)C(C)(C)O)CCC43C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12CSugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 11 |
| MolWt: | 825.05 | Num_heavy_atoms: | 58 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD01522
Formula: C30H50O4
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: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
