Glycoside
GD100086
Name:
2-{4-[4-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-ethyl-5-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C24H26O9N2Smiles:
CCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCO3)c(O)cc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1OAglycone:
CCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCO3)c(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.48 | Num_heavy_atoms: | 35 |
| TPSA: | 166.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD42298
Formula: C18H16O4N2
Smiles:
CCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCO3)c(O)cc1O| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 324.34 | Num_heavy_atoms: | 24 |
| TPSA: | 87.6 | NumAromaticRings: | 3 |
