Glycoside
GD095912
Name:
NoneFormula:
C18H23O7N5S2Smiles:
Nc1nc(SCCc2ccc(S(O)(O)O)cc2)nc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1OAglycone:
Nc1nc(SCCc2ccc(S(O)(O)O)cc2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 485.54 | Num_heavy_atoms: | 32 |
| TPSA: | 200.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD40833
Formula: C13H14O3N5S2
Smiles:
Nc1nc(SCCc2ccc(S(O)(O)O)cc2)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.15 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 352.42 | Num_heavy_atoms: | 23 |
| TPSA: | 138.95 | NumAromaticRings: | 2 |
