Glycoside
GD146589
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-methylpropanenitrileFormula:
C16H27O11NSmiles:
CC(C)(C#N)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)(O)C#NSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | -4.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 409.39 | Num_heavy_atoms: | 28 |
| TPSA: | 202.32 | NumAromaticRings: | 0 |
Unique Aglycone
AD05031
Formula: C4H7ON
Smiles:
CC(C)(O)C#N| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 85.11 | Num_heavy_atoms: | 6 |
| TPSA: | 44.02 | NumAromaticRings: | 0 |
