Glycoside
GD100310
Name:
NoneFormula:
C21H27O8NS2Smiles:
CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)c1Aglycone:
CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(S)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 485.58 | Num_heavy_atoms: | 32 |
| TPSA: | 145.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD42386
Formula: C15H17O3NS2
Smiles:
CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(S)cc2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 323.44 | Num_heavy_atoms: | 21 |
| TPSA: | 55.4 | NumAromaticRings: | 2 |
