Glycoside
GD107042
Name:
NoneFormula:
C25H30O10N2SSmiles:
CCc1ccc(CCOc2ccc(C[C@H](SC(=O)N[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)O)cc2)nc1Aglycone:
CCc1ccc(CCOc2ccc(CC(SC(N)=O)C(=O)O)cc2)nc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 11 |
| MolWt: | 550.59 | Num_heavy_atoms: | 38 |
| TPSA: | 195.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD44265
Formula: C19H22O4N2S
Smiles:
CCc1ccc(CCOc2ccc(CC(SC(N)=O)C(=O)O)cc2)nc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 374.46 | Num_heavy_atoms: | 26 |
| TPSA: | 102.51 | NumAromaticRings: | 2 |
