Glycoside
GD073614
Name:
NoneFormula:
C16H23O8NSSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(S(C)(=O)=O)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CS(=O)(=O)c1ccc(C(=O)NCCO)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 389.43 | Num_heavy_atoms: | 26 |
| TPSA: | 142.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD34101
Formula: C10H13O4NS
Smiles:
CS(=O)(=O)c1ccc(C(=O)NCCO)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 243.28 | Num_heavy_atoms: | 16 |
| TPSA: | 83.47 | NumAromaticRings: | 1 |
