Glycoside
GD090078
Name:
NoneFormula:
C18H24O7N4SSmiles:
CC(C)c1cccc(S(=O)(=O)Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Aglycone:
CC(C)c1cccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 440.48 | Num_heavy_atoms: | 30 |
| TPSA: | 177.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD39183
Formula: C13H15O3N4S
Smiles:
CC(C)c1cccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.23 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 307.35 | Num_heavy_atoms: | 21 |
| TPSA: | 115.72 | NumAromaticRings: | 1 |
