Glycoside
GD026179
Name:
HAEMODOROSEFormula:
C25H24O9Smiles:
COc1cc2c3c(ccc(-c4ccccc4)c3c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)OC2Aglycone:
COc1cc2c3c(ccc(-c4ccccc4)c3c1O)C(=O)OC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.46 | Num_heavy_atoms: | 34 |
| TPSA: | 134.91 | NumAromaticRings: | 3 |
Unique Aglycone
AD17275
Formula: C19H14O4
Smiles:
COc1cc2c3c(ccc(-c4ccccc4)c3c1O)C(=O)OC2| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 306.32 | Num_heavy_atoms: | 23 |
| TPSA: | 55.76 | NumAromaticRings: | 3 |
