Glycoside
GD017968
Name:
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C22H22O11Smiles:
COc1c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=OAglycone:
COc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 179.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD10717
Formula: C16H12O6
Smiles:
COc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
