Glycoside
GD154351
Name:
2-(4-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene)acetonitrileFormula:
C14H21O7NSmiles:
N#CC=C1CCC(O)CC1OC1OC(CO)C(O)C(O)C1OAglycone:
N#CC=C1CCC(O)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 315.32 | Num_heavy_atoms: | 22 |
| TPSA: | 143.4 | NumAromaticRings: | 0 |
Unique Aglycone
AD61318
Formula: C8H11O2N
Smiles:
N#CC=C1CCC(O)CC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 153.18 | Num_heavy_atoms: | 11 |
| TPSA: | 64.25 | NumAromaticRings: | 0 |
