Glycoside
GD003510
Name:
NoneFormula:
C20H30O13N4S2Smiles:
NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1Aglycone:
NC(=S)NNC(=O)c1ccc(S(N)(=O)=O)cc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.6 |
| AlogP: | -5.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 598.61 | Num_heavy_atoms: | 39 |
| TPSA: | 282.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD00159
Formula: C8H10O3N4S2
Smiles:
NC(=S)NNC(=O)c1ccc(S(N)(=O)=O)cc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 274.33 | Num_heavy_atoms: | 17 |
| TPSA: | 127.31 | NumAromaticRings: | 1 |
