Glycoside
GD117968
Name:
4-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxabicyclo[3.1.0]hexane-2-carbonitrileFormula:
C12H17O8NSmiles:
N#CC1(OC2OC(CO)C(O)C(O)C2O)CC(O)C2OC21Aglycone:
N#CC1(O)CC(O)C2OC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | -3.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 303.27 | Num_heavy_atoms: | 21 |
| TPSA: | 155.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD47107
Formula: C6H7O3N
Smiles:
N#CC1(O)CC(O)C2OC21| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 0 |
| MolWt: | 141.13 | Num_heavy_atoms: | 10 |
| TPSA: | 76.78 | NumAromaticRings: | 0 |
