Glycoside
GD080667
Name:
NoneFormula:
C14H22O8N2S2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2sccc2NS(C)(=O)=O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CS(=O)(=O)Nc1ccsc1C(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 410.47 | Num_heavy_atoms: | 26 |
| TPSA: | 154.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD36456
Formula: C8H12O4N2S2
Smiles:
CS(=O)(=O)Nc1ccsc1C(=O)NCCO| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 264.33 | Num_heavy_atoms: | 16 |
| TPSA: | 95.5 | NumAromaticRings: | 1 |
