Glycoside
GD147878
Name:
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C23H26O12Smiles:
COc1cc2c(c(O)c1OC)C(=O)C(OC1OC(CO)C(O)C(O)C1O)C(c1ccc(O)cc1)O2Aglycone:
COc1cc2c(c(O)c1OC)C(=O)C(O)C(c1ccc(O)cc1)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.45 | Num_heavy_atoms: | 35 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD59202
Formula: C17H16O7
Smiles:
COc1cc2c(c(O)c1OC)C(=O)C(O)C(c1ccc(O)cc1)O2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.31 | Num_heavy_atoms: | 24 |
| TPSA: | 105.45 | NumAromaticRings: | 2 |
