Glycoside
GD114559
Name:
3-(hydroxymethyl)-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxirane-2-carbonitrileFormula:
C11H17O8NSmiles:
N#CC1OC1(CO)COC1OC(CO)C(O)C(O)C1OAglycone:
N#CC1OC1(CO)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | -3.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 291.26 | Num_heavy_atoms: | 20 |
| TPSA: | 155.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD45134
Formula: C5H7O3N
Smiles:
N#CC1OC1(CO)CO| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 129.12 | Num_heavy_atoms: | 9 |
| TPSA: | 76.78 | NumAromaticRings: | 0 |
