Glycoside
GD087086
Name:
NoneFormula:
C17H20O8N4SSmiles:
CC(=O)c1cccc(S(=O)(=O)Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Aglycone:
CC(=O)c1cccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 440.43 | Num_heavy_atoms: | 30 |
| TPSA: | 194.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD38394
Formula: C12H11O4N4S
Smiles:
CC(=O)c1cccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 307.31 | Num_heavy_atoms: | 21 |
| TPSA: | 132.79 | NumAromaticRings: | 1 |
