Glycoside
GD008066
Name:
NoneFormula:
C20H30O14N10S2Smiles:
NS(=O)(=O)c1nnc(N(Cc2cn(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)Cc2cn(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)s1Aglycone:
NS(=O)(=O)c1nnc(N(Cc2cn(O)nn2)Cc2cn(O)nn2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.7 |
| AlogP: | -7.97 | Num_rotatable_bonds: | 12 |
| MolWt: | 698.65 | Num_heavy_atoms: | 46 |
| TPSA: | 349.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD06492
Formula: C8H10O4N10S2
Smiles:
NS(=O)(=O)c1nnc(N(Cc2cn(O)nn2)Cc2cn(O)nn2)s1| HBA: | 14 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 374.37 | Num_heavy_atoms: | 24 |
| TPSA: | 191.06 | NumAromaticRings: | 3 |
