Glycoside
GD012032
Name:
NoneFormula:
C23H31O12N5SSmiles:
CS(=O)(=O)N(Cc1cn([C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)nn1)c1ccc(C#N)cc1Aglycone:
CS(=O)(=O)N(CC1=C[N]N=N1)c1ccc(C#N)cc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.61 |
| AlogP: | -4.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 601.59 | Num_heavy_atoms: | 41 |
| TPSA: | 261.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD09104
Formula: C11H10O2N5S
Smiles:
CS(=O)(=O)N(CC1=C[N]N=N1)c1ccc(C#N)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 276.3 | Num_heavy_atoms: | 19 |
| TPSA: | 99.99 | NumAromaticRings: | 1 |
