Glycoside
GD153737
Name:
1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopent-3-ene-1-carbonitrileFormula:
C12H17O6NSmiles:
N#CC1(OC2OC(CO)C(O)C(O)C2O)CC=CC1Aglycone:
N#CC1(O)CC=CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 271.27 | Num_heavy_atoms: | 19 |
| TPSA: | 123.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD61116
Formula: C6H7ON
Smiles:
N#CC1(O)CC=CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 0 |
| MolWt: | 109.13 | Num_heavy_atoms: | 8 |
| TPSA: | 44.02 | NumAromaticRings: | 0 |
