Glycoside
GD023158
Name:
3-(3,4-dihydroxyphenyl)-7-hydroxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C21H20O11Smiles:
O=c1c(-c2ccc(O)c(O)c2)coc2c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)ccc12Aglycone:
O=c1c(-c2ccc(O)c(O)c2)coc2c(O)c(O)ccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.38 | Num_heavy_atoms: | 32 |
| TPSA: | 190.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD15608
Formula: C15H10O6
Smiles:
O=c1c(-c2ccc(O)c(O)c2)coc2c(O)c(O)ccc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
