Glycoside
GD032517
Name:
NoneFormula:
C11H16O6NS2BrSmiles:
C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Br)s2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)c1ccc(Br)s1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 402.29 | Num_heavy_atoms: | 21 |
| TPSA: | 116.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD20853
Formula: C5H6O2NS2Br
Smiles:
CNS(=O)(=O)c1ccc(Br)s1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 256.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
