Glycoside
GD145390
Name:
2-(2,4-dihydroxy-3-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene)acetonitrileFormula:
C15H23O9NSmiles:
COC1C(O)CC(OC2OC(CO)C(O)C(O)C2O)C(=CC#N)C1OAglycone:
COC1C(O)CC(O)C(=CC#N)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | -3.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 361.35 | Num_heavy_atoms: | 25 |
| TPSA: | 172.86 | NumAromaticRings: | 0 |
Unique Aglycone
AD53484
Formula: C9H13O4N
Smiles:
COC1C(O)CC(O)C(=CC#N)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 199.21 | Num_heavy_atoms: | 14 |
| TPSA: | 93.71 | NumAromaticRings: | 0 |
