Glycoside
GD149157
Name:
2-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-2-phenylacetonitrileFormula:
C19H25O10NSmiles:
N#CC(OC1OC(CO)C(O)C(O)C1OC1OCC(O)(CO)C1O)c1ccccc1Aglycone:
N#CC(O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 427.41 | Num_heavy_atoms: | 30 |
| TPSA: | 182.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD02610
Formula: C8H7ON
Smiles:
N#CC(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 133.15 | Num_heavy_atoms: | 10 |
| TPSA: | 44.02 | NumAromaticRings: | 1 |
