Glycoside
GD097019
Name:
NoneFormula:
C18H17O8N5SSmiles:
O=c1[nH]c2ccc(S(=O)(=O)Nc3ncnc4c3ccn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2o1Aglycone:
O=c1[nH]c2ccc(S(=O)(=O)Nc3ncnc4c3C=C[N]4)cc2o1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 463.43 | Num_heavy_atoms: | 32 |
| TPSA: | 192.8 | NumAromaticRings: | 4 |
Unique Aglycone
AD41238
Formula: C13H8O4N5S
Smiles:
O=c1[nH]c2ccc(S(=O)(=O)Nc3ncnc4c3C=C[N]4)cc2o1| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.31 | Num_heavy_atoms: | 23 |
| TPSA: | 132.05 | NumAromaticRings: | 3 |
