Glycoside
GD027996
Name:
NoneFormula:
C20H25O9N5SSmiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(-c3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)nn2)[C@H]1OAglycone:
Cc1cc(NS(=O)(=O)c2ccc(-n3cc(CO)nn3)cc2)no1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 511.51 | Num_heavy_atoms: | 35 |
| TPSA: | 191.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD18335
Formula: C13H13O4N5S
Smiles:
Cc1cc(NS(=O)(=O)c2ccc(-n3cc(CO)nn3)cc2)no1| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 335.35 | Num_heavy_atoms: | 23 |
| TPSA: | 123.14 | NumAromaticRings: | 3 |
