Glycoside
GD107047
Name:
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1H-pyrazole-5-carboxylic acidFormula:
C24H24O11N2Smiles:
O=C(O)c1n[nH]c(-c2ccc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)cc2O)c1-c1ccc2c(c1)OCCO2Aglycone:
O=C(O)c1n[nH]c(-c2ccc(O)cc2O)c1-c1ccc2c(c1)OCCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 516.46 | Num_heavy_atoms: | 37 |
| TPSA: | 204.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD44217
Formula: C18H14O6N2
Smiles:
O=C(O)c1n[nH]c(-c2ccc(O)cc2O)c1-c1ccc2c(c1)OCCO2| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.11 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 354.32 | Num_heavy_atoms: | 26 |
| TPSA: | 124.9 | NumAromaticRings: | 3 |
