Glycoside
GD122905
Name:
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-4H-chromen-4-oneFormula:
C21H20O11Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OCC3OC(O)C(O)C(O)C3O)cc(O)c12Aglycone:
COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
OC1OC(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
AD23614
Formula: C16H12O6
Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1| 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 |
