Glycoside
GD158246
Name:
AlhagitinFormula:
C22H24O10Smiles:
COc1cc(O)cc2c1C(=O)CC(c1ccc(OC3OC(CO)C(O)C(O)C3O)cc1)O2Aglycone:
COc1cc(O)cc2c1C(=O)CC(c1ccc(O)cc1)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.42 | Num_heavy_atoms: | 32 |
| TPSA: | 155.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD47834
Formula: C16H14O5
Smiles:
COc1cc(O)cc2c1C(=O)CC(c1ccc(O)cc1)O2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
