Glycoside
GD091871
Name:
NoneFormula:
C18H29O9NSSmiles:
COc1ccc(OCCCS(=O)(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
COc1ccc(OCCCS(=O)(=O)NCCO)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 11 |
| MolWt: | 435.5 | Num_heavy_atoms: | 29 |
| TPSA: | 143.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD40067
Formula: C12H19O5NS
Smiles:
COc1ccc(OCCCS(=O)(=O)NCCO)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 289.35 | Num_heavy_atoms: | 19 |
| TPSA: | 84.86 | NumAromaticRings: | 1 |
