Glycoside
GD088594
Name:
NoneFormula:
C18H27O10NSSmiles:
CCOc1ccc(C(=O)OC)cc1S(=O)(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1OAglycone:
CCOc1ccc(C(=O)OC)cc1S(=O)(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 449.48 | Num_heavy_atoms: | 30 |
| TPSA: | 160.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD38766
Formula: C12H17O6NS
Smiles:
CCOc1ccc(C(=O)OC)cc1S(=O)(=O)NCCO| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 303.34 | Num_heavy_atoms: | 20 |
| TPSA: | 101.93 | NumAromaticRings: | 1 |
