Glycoside
GD097217
Name:
NoneFormula:
C20H22O8N4SSmiles:
COc1ccc2cc(S(=O)(=O)Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc2c1Aglycone:
COc1ccc2cc(S(=O)(=O)NC3=C(C(N)=O)N=C[N]3)ccc2c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 478.48 | Num_heavy_atoms: | 33 |
| TPSA: | 186.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD41331
Formula: C15H13O4N4S
Smiles:
COc1ccc2cc(S(=O)(=O)NC3=C(C(N)=O)N=C[N]3)ccc2c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 345.36 | Num_heavy_atoms: | 24 |
| TPSA: | 124.95 | NumAromaticRings: | 2 |
