Glycoside
GD124015
Name:
1-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxycyclopent-2-ene-1-carbonitrileFormula:
C12H17O5NSmiles:
CC1OC(OC2(C#N)C=CC(O)C2)CC(O)C1OAglycone:
N#CC1(O)C=CC(O)C1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 255.27 | Num_heavy_atoms: | 18 |
| TPSA: | 102.94 | 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 |
