Glycoside
GD094389
Name:
NoneFormula:
C18H19O9N4ClSSmiles:
COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC1=C(C(N)=O)N=C[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 490.88 | Num_heavy_atoms: | 32 |
| TPSA: | 203.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD40511
Formula: C13H10O5N4ClS
Smiles:
COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC1=C(C(N)=O)N=C[N]1| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 357.76 | Num_heavy_atoms: | 23 |
| TPSA: | 142.02 | NumAromaticRings: | 1 |
