Glycoside
GD094880
Name:
NoneFormula:
C18H21O8N5SSmiles:
CN1C(=O)Cc2cc(S(=O)(=O)Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc21Aglycone:
CN1C(=O)Cc2cc(S(=O)(=O)NC3=C(C(N)=O)N=C[N]3)ccc21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 467.46 | Num_heavy_atoms: | 32 |
| TPSA: | 197.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD40559
Formula: C13H12O4N5S
Smiles:
CN1C(=O)Cc2cc(S(=O)(=O)NC3=C(C(N)=O)N=C[N]3)ccc21| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 334.34 | Num_heavy_atoms: | 23 |
| TPSA: | 136.03 | NumAromaticRings: | 1 |
