Glycoside
GD091425
Name:
NoneFormula:
C18H28O9N2SSmiles:
CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1OAglycone:
CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 9 |
| MolWt: | 448.49 | Num_heavy_atoms: | 30 |
| TPSA: | 163.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD39889
Formula: C12H18O5N2S
Smiles:
CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NCCO| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 302.35 | Num_heavy_atoms: | 20 |
| TPSA: | 104.73 | NumAromaticRings: | 1 |
