Glycoside
GD121404
Name:
1-[5-(2,3,4-trihydroxybutyl)pyrazin-2-yl]butane-1,2,3,4-tetrolFormula:
C12H20O7N2Smiles:
OCC(O)C(O)Cc1cnc(C(O)C(O)C(O)CO)cn1Aglycone:
OCC(O)C(O)Cc1cnccn1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -3.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 304.3 | Num_heavy_atoms: | 21 |
| TPSA: | 167.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD48867
Formula: C8H12O3N2
Smiles:
OCC(O)C(O)Cc1cnccn1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 184.2 | Num_heavy_atoms: | 13 |
| TPSA: | 86.47 | NumAromaticRings: | 1 |
