Glycoside
GD100040
Name:
2-{4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-3-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C23H24O9N2Smiles:
OC[C@@H]1O[C@H](Oc2ccc(-c3n[nH]cc3-c3ccc4c(c3)OCCO4)c(O)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
Oc1ccc(-c2n[nH]cc2-c2ccc3c(c2)OCCO3)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 472.45 | Num_heavy_atoms: | 34 |
| TPSA: | 166.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD42299
Formula: C17H14O4N2
Smiles:
Oc1ccc(-c2n[nH]cc2-c2ccc3c(c2)OCCO3)c(O)c1| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 310.31 | Num_heavy_atoms: | 23 |
| TPSA: | 87.6 | NumAromaticRings: | 3 |
