Glycoside
GD008131
Name:
NoneFormula:
C13H17O4N3Smiles:
C[C@]1(O)[C@H](O)[C@H](CO)O[C@H]1n1ccc2c(N)nccc21Aglycone:
Nc1nccc2[nH]ccc12Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 279.3 | Num_heavy_atoms: | 20 |
| TPSA: | 113.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD06533
Formula: C7H7N3
Smiles:
Nc1nccc2[nH]ccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.15 | Num_heavy_atoms: | 10 |
| TPSA: | 54.7 | NumAromaticRings: | 2 |
