Glycoside
GD095733
Name:
NoneFormula:
C17H16O7N5ClSSmiles:
N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
N#Cc1ccc(Cl)cc1S(=O)(=O)NC1=C(C(N)=O)N=C[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 457.85 | Num_heavy_atoms: | 30 |
| TPSA: | 200.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD40806
Formula: C12H7O3N5ClS
Smiles:
N#Cc1ccc(Cl)cc1S(=O)(=O)NC1=C(C(N)=O)N=C[N]1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 324.73 | Num_heavy_atoms: | 21 |
| TPSA: | 139.51 | NumAromaticRings: | 1 |
