Glycoside
GD141167
Name:
4-hydroxy-1-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]cyclopent-2-ene-1-carbonitrileFormula:
C12H17O6NSmiles:
CC1OC(OC2(C#N)C=CC(O)C2)C(O)C(O)C1OAglycone:
N#CC1(O)C=CC(O)C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 271.27 | Num_heavy_atoms: | 19 |
| TPSA: | 123.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD50072
Formula: C6H7O2N
Smiles:
N#CC1(O)C=CC(O)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 0 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 64.25 | NumAromaticRings: | 0 |
