Glycoside
GD097197
Name:
NoneFormula:
C19H21O7N5SSmiles:
Cc1cnc2c(S(=O)(=O)Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cccc2c1Aglycone:
Cc1cnc2c(S(=O)(=O)NC3=C(C(N)=O)N=C[N]3)cccc2c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 463.47 | Num_heavy_atoms: | 32 |
| TPSA: | 189.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD41319
Formula: C14H12O3N5S
Smiles:
Cc1cnc2c(S(=O)(=O)NC3=C(C(N)=O)N=C[N]3)cccc2c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.35 | Num_heavy_atoms: | 23 |
| TPSA: | 128.61 | NumAromaticRings: | 2 |
