Glycoside
GD100712
Name:
NoneFormula:
C20H28O7N4SSmiles:
CCC(C)(C)c1ccc(S(=O)(=O)Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
CCC(C)(C)c1ccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 468.53 | Num_heavy_atoms: | 32 |
| TPSA: | 177.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD42526
Formula: C15H19O3N4S
Smiles:
CCC(C)(C)c1ccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 335.41 | Num_heavy_atoms: | 23 |
| TPSA: | 115.72 | NumAromaticRings: | 1 |
