Glycoside
GD098097
Name:
NoneFormula:
C21H27O7N5SSmiles:
Cc1ccc(S(=O)(=O)N2CC=C(Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)CC2)cc1Aglycone:
Cc1ccc(S(=O)(=O)N2CC=C(NC3=C(C(N)=O)N=C[N]3)CC2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 493.54 | Num_heavy_atoms: | 34 |
| TPSA: | 180.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD41744
Formula: C16H18O3N5S
Smiles:
Cc1ccc(S(=O)(=O)N2CC=C(NC3=C(C(N)=O)N=C[N]3)CC2)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 360.42 | Num_heavy_atoms: | 25 |
| TPSA: | 118.96 | NumAromaticRings: | 1 |
