Glycoside
GD116819
Name:
4-ethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H,4H,4aH,5H,6H,7H,8H-pyrano[3,4-c]pyridin-8-oneFormula:
C16H25O8NSmiles:
CCC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(O)=NCCC21Aglycone:
CCC1C(O)OC=C2C(O)=NCCC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 359.38 | Num_heavy_atoms: | 25 |
| TPSA: | 141.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD46467
Formula: C10H15O3N
Smiles:
CCC1C(O)OC=C2C(O)=NCCC21| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 197.23 | Num_heavy_atoms: | 14 |
| TPSA: | 62.05 | NumAromaticRings: | 0 |
