Glycoside
GD097145
Name:
NoneFormula:
C20H26O9N4SSmiles:
CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 498.51 | Num_heavy_atoms: | 34 |
| TPSA: | 203.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD41296
Formula: C15H17O5N4S
Smiles:
CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)cc1| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 365.39 | Num_heavy_atoms: | 25 |
| TPSA: | 142.02 | NumAromaticRings: | 1 |
