Glycoside
GD091890
Name:
NoneFormula:
C17H24O8NClSSmiles:
COc1cc(C)c(Cl)cc1S(=O)(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1OAglycone:
COc1cc(C)c(Cl)cc1S(=O)(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 425.89 | Num_heavy_atoms: | 27 |
| TPSA: | 134.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD40080
Formula: C11H14O4NClS
Smiles:
COc1cc(C)c(Cl)cc1S(=O)(=O)NCCO| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 279.75 | Num_heavy_atoms: | 17 |
| TPSA: | 75.63 | NumAromaticRings: | 1 |
