Glycoside
GD006595
Name:
NoneFormula:
C25H32O11Smiles:
O=C(Cc1ccc(O)cc1)OC[C@@H]1CC[C@@H]2C(C(=O)O)=CC[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H]21Aglycone:
O=C(Cc1ccc(O)cc1)OCC1CCC2C(C(=O)O)=CCC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 508.52 | Num_heavy_atoms: | 36 |
| TPSA: | 183.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD05445
Formula: C19H22O6
Smiles:
O=C(Cc1ccc(O)cc1)OCC1CCC2C(C(=O)O)=CCC(O)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 104.06 | NumAromaticRings: | 1 |
