Glycoside
GD095303
Name:
NoneFormula:
C20H29O9NSSmiles:
COc1cccc(CC2(C(=O)N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)CCS(=O)(=O)CC2)c1Aglycone:
COc1cccc(CC2(C(N)=O)CCS(=O)(=O)CC2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 459.52 | Num_heavy_atoms: | 31 |
| TPSA: | 162.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD40673
Formula: C14H19O4NS
Smiles:
COc1cccc(CC2(C(N)=O)CCS(=O)(=O)CC2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 297.38 | Num_heavy_atoms: | 20 |
| TPSA: | 86.46 | NumAromaticRings: | 1 |
