Glycoside
GD021365
Name:
NoneFormula:
C22H28O8N6SSmiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(-c3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)nn2)[C@H]1OAglycone:
Cc1cc(C)nc(NS(=O)(=O)c2ccc(-n3cc(CO)nn3)cc2)n1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 536.57 | Num_heavy_atoms: | 37 |
| TPSA: | 191.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD14625
Formula: C15H16O3N6S
Smiles:
Cc1cc(C)nc(NS(=O)(=O)c2ccc(-n3cc(CO)nn3)cc2)n1| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 360.4 | Num_heavy_atoms: | 25 |
| TPSA: | 122.89 | NumAromaticRings: | 3 |
