Glycoside
GD131860
Name:
2-(3-hydroxyphenyl)-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]acetonitrileFormula:
C19H25O11NSmiles:
N#CC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)c1cccc(O)c1Aglycone:
N#CC(O)c1cccc(O)c1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.63 |
| AlogP: | -2.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.41 | Num_heavy_atoms: | 31 |
| TPSA: | 202.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD52915
Formula: C8H7O2N
Smiles:
N#CC(O)c1cccc(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.15 | Num_heavy_atoms: | 11 |
| TPSA: | 64.25 | NumAromaticRings: | 1 |
