Glycoside
GD114167
Name:
1-[6-(3-hydroxy-2-methylbutyl)pyrazin-2-yl]butane-1,2,3,4-tetrolFormula:
C13H22O5N2Smiles:
CC(O)C(C)Cc1cncc(C(O)C(O)C(O)CO)n1Aglycone:
CC(O)C(C)Cc1cnccn1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 286.33 | Num_heavy_atoms: | 20 |
| TPSA: | 126.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD44872
Formula: C9H14ON2
Smiles:
CC(O)C(C)Cc1cnccn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 166.22 | Num_heavy_atoms: | 12 |
| TPSA: | 46.01 | NumAromaticRings: | 1 |
