Glycoside
GD127112
Name:
2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C24H26O12Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(=O)cc(-c3cc(OC)c(O)c(OC)c3)oc2c1Aglycone:
COc1cc(O)c2c(=O)cc(-c3cc(OC)c(O)c(OC)c3)oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 506.46 | Num_heavy_atoms: | 36 |
| TPSA: | 177.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD51461
Formula: C18H16O7
Smiles:
COc1cc(O)c2c(=O)cc(-c3cc(OC)c(O)c(OC)c3)oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 98.36 | NumAromaticRings: | 3 |
