Glycoside
GD125427
Name:
7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5,6,8-trimethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C25H28O14Smiles:
COc1cc(-c2oc3c(OC)c(O)c(OC)c(OC)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(-c2oc3c(OC)c(O)c(OC)c(OC)c3c(=O)c2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 552.49 | Num_heavy_atoms: | 39 |
| TPSA: | 206.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD50730
Formula: C19H18O9
Smiles:
COc1cc(-c2oc3c(OC)c(O)c(OC)c(OC)c3c(=O)c2O)ccc1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.34 | Num_heavy_atoms: | 28 |
| TPSA: | 127.82 | NumAromaticRings: | 3 |
