Glycoside
GD084601
Name:
NoneFormula:
C18H29O8NSSmiles:
COc1cc(C)c(S(=O)(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c(C)c1CAglycone:
COc1cc(C)c(S(=O)(=O)NCCO)c(C)c1CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 419.5 | Num_heavy_atoms: | 28 |
| TPSA: | 134.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD37809
Formula: C12H19O4NS
Smiles:
COc1cc(C)c(S(=O)(=O)NCCO)c(C)c1C| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 273.35 | Num_heavy_atoms: | 18 |
| TPSA: | 75.63 | NumAromaticRings: | 1 |
