Glycoside
GD029094
Name:
NoneFormula:
C19H21O6NS2Smiles:
C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(C#Cc3ccccc3)s2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)c1ccc(C#Cc2ccccc2)s1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 423.51 | Num_heavy_atoms: | 28 |
| TPSA: | 116.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD18966
Formula: C13H11O2NS2
Smiles:
CNS(=O)(=O)c1ccc(C#Cc2ccccc2)s1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 277.37 | Num_heavy_atoms: | 18 |
| TPSA: | 46.17 | NumAromaticRings: | 2 |
