Glycoside
GD124991
Name:
Bryoniaoside AFormula:
C42H68O13Smiles:
CC1OC(OC(C)(C)C=CCC(C)(O)C2CCC3(C)C4CC=C5C(CCC(OC6OC(CO)C(O)C(O)C6O)C5(C)C)C4(C)C(=O)CC23C)C(O)C(O)C1OAglycone:
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 780.99 | Num_heavy_atoms: | 55 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD50540
Formula: C30H48O4
Smiles:
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 5.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
