Glycoside
GD149451
Name:
6,7,8-trihydroxy-2-(4-{[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-oneFormula:
C21H20O11Smiles:
O=c1cc(-c2ccc(OC3OC(O)C(O)C(O)C3CO)cc2)oc2c(O)c(O)c(O)cc12Aglycone:
O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)c(O)cc12Sugarmoiety:
OCC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.38 | Num_heavy_atoms: | 32 |
| TPSA: | 190.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD50526
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)c(O)cc12| 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 |
