Glycoside
GD088556
Name:
NoneFormula:
C17H24O10N2SSmiles:
COC(=O)c1cc(C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc(N(C)S(C)(=O)=O)c1Aglycone:
COC(=O)c1cc(C(N)=O)cc(N(C)S(C)(=O)=O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.45 | Num_heavy_atoms: | 30 |
| TPSA: | 182.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD38744
Formula: C11H14O5N2S
Smiles:
COC(=O)c1cc(C(N)=O)cc(N(C)S(C)(=O)=O)c1| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 286.31 | Num_heavy_atoms: | 19 |
| TPSA: | 106.77 | NumAromaticRings: | 1 |
