Glycoside
GD014315
Name:
NoneFormula:
C12H17O5N3Smiles:
C=CCO[C@@H]1[C@H](O)[C@H](CO)O[C@H]1n1ccc(N)nc1=OAglycone:
Nc1cc[nH]c(=O)n1Sugarmoiety:
C=CCOC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 283.28 | Num_heavy_atoms: | 20 |
| TPSA: | 119.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
