Glycoside
GD141532
Name:
3-methyl-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]butanenitrileFormula:
C17H29O10NSmiles:
CC(C)C(C#N)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)C(O)C#NSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | -2.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 407.42 | Num_heavy_atoms: | 28 |
| TPSA: | 182.09 | NumAromaticRings: | 0 |
Unique Aglycone
AD47606
Formula: C5H9ON
Smiles:
CC(C)C(O)C#N| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 44.02 | NumAromaticRings: | 0 |
