Glycoside
GD067819
Name:
3,4,5-trihydroxy-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]oxane-2-carboxylic acidFormula:
C16H16O9Smiles:
Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)ccc12Aglycone:
Cc1cc(=O)oc2cc(O)ccc12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 352.3 | Num_heavy_atoms: | 25 |
| TPSA: | 146.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD00685
Formula: C10H8O3
Smiles:
Cc1cc(=O)oc2cc(O)ccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 176.17 | Num_heavy_atoms: | 13 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
