Glycoside
GD077064
Name:
NoneFormula:
C17H23O7NSSmiles:
CC1(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)COC1Aglycone:
CC1(C(=O)Nc2ccc(S)cc2)COC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 385.44 | Num_heavy_atoms: | 26 |
| TPSA: | 128.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD35392
Formula: C11H13O2NS
Smiles:
CC1(C(=O)Nc2ccc(S)cc2)COC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 223.3 | Num_heavy_atoms: | 15 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
