Glycoside
GD023029
Name:
BRYONIOSIDE GFormula:
C42H68O13Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3CC[C@@H]4C(=CC[C@@H]5[C@]6(C)CC[C@H]([C@H](C)CCC(=O)C(C)(C)O)[C@@]6(C)CC(=O)[C@@]45C)C3(C)C)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(CCC(=O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)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 |
