Glycoside
GD065666
Name:
NoneFormula:
C15H18O7N2SSmiles:
COc1ccc2sc(C(=O)N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)nc2c1Aglycone:
COc1ccc2sc(C(N)=O)nc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 370.38 | Num_heavy_atoms: | 25 |
| TPSA: | 141.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD31600
Formula: C9H8O2N2S
Smiles:
COc1ccc2sc(C(N)=O)nc2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.24 | Num_heavy_atoms: | 14 |
| TPSA: | 65.21 | NumAromaticRings: | 2 |
