Glycoside
GD145726
Name:
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl}-4H-chromen-4-oneFormula:
C22H22O11Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2c(CC3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12Aglycone:
Cc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 201.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD58474
Formula: C16H12O6
Smiles:
Cc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
