Glycoside
GD156549
Name:
2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl]oxy}-2-phenylacetonitrileFormula:
C20H27O11NSmiles:
N#CC(OC1C(CO)OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O)c1ccccc1Aglycone:
N#CC(O)c1ccccc1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -3.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 457.43 | Num_heavy_atoms: | 32 |
| TPSA: | 202.32 | 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 |
