Glycoside
GD026743
Name:
NoneFormula:
C27H36O12Smiles:
CCCCO[C@@H]1O[C@]2(C)CC(=O)[C@@H]3C[C@@]2(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@]13COC(=O)c1ccc(O)cc1Aglycone:
CCCCOC1OC2(C)CC(=O)C3CC2(O)C13COC(=O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 552.57 | Num_heavy_atoms: | 39 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD17616
Formula: C21H26O7
Smiles:
CCCCOC1OC2(C)CC(=O)C3CC2(O)C13COC(=O)c1ccc(O)cc1| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
