Glycoside
GD114679
Name:
7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-6-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C24H26O12Smiles:
COc1c(-c2ccc(O)cc2)oc2c(OC3OC(CO)C(O)C(O)C3O)c(O)c(C)c(OC)c2c1=OAglycone:
COc1c(-c2ccc(O)cc2)oc2c(O)c(O)c(C)c(OC)c2c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.46 | Num_heavy_atoms: | 36 |
| TPSA: | 188.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD45208
Formula: C18H16O7
Smiles:
COc1c(-c2ccc(O)cc2)oc2c(O)c(O)c(C)c(OC)c2c1=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
