Glycoside
GD126825
Name:
2-(4-hydroxycyclohexa-1,5-dien-1-yl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrileFormula:
C14H19O7NSmiles:
N#CC(OC1OC(CO)C(O)C(O)C1O)C1=CCC(O)C=C1Aglycone:
N#CC(O)C1=CCC(O)C=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 313.31 | Num_heavy_atoms: | 22 |
| TPSA: | 143.4 | NumAromaticRings: | 0 |
Unique Aglycone
AD51335
Formula: C8H9O2N
Smiles:
N#CC(O)C1=CCC(O)C=C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 151.16 | Num_heavy_atoms: | 11 |
| TPSA: | 64.25 | NumAromaticRings: | 0 |
