Glycoside
GD007012
Name:
NoneFormula:
C20H24O8N10S2Smiles:
NS(=O)(=O)c1nnc(N(Cc2cn(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)Cc2cn(-c3ccccc3)nn2)s1Aglycone:
NS(=O)(=O)c1nnc(N(Cc2cn(O)nn2)Cc2cn(-c3ccccc3)nn2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -3.21 | Num_rotatable_bonds: | 10 |
| MolWt: | 596.61 | Num_heavy_atoms: | 40 |
| TPSA: | 249.98 | NumAromaticRings: | 4 |
Unique Aglycone
AD05739
Formula: C14H14O3N10S2
Smiles:
NS(=O)(=O)c1nnc(N(Cc2cn(O)nn2)Cc2cn(-c3ccccc3)nn2)s1| HBA: | 13 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 434.47 | Num_heavy_atoms: | 29 |
| TPSA: | 170.83 | NumAromaticRings: | 4 |
