Glycoside
GD004449
Name:
NoneFormula:
C21H25O8N5SSmiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(-c3ccc(S(=O)(=O)Nc4ccccn4)cc3)nn2)[C@H]1OAglycone:
O=S(=O)(Nc1ccccn1)c1ccc(-n2cc(CO)nn2)cc1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 507.53 | Num_heavy_atoms: | 35 |
| TPSA: | 178.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD03885
Formula: C14H13O3N5S
Smiles:
O=S(=O)(Nc1ccccn1)c1ccc(-n2cc(CO)nn2)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 331.36 | Num_heavy_atoms: | 23 |
| TPSA: | 110.0 | NumAromaticRings: | 3 |
