Glycoside
GD084515
Name:
NoneFormula:
C18H22O7N2SSmiles:
COc1cccc(-c2nc(C)c(C(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)s2)c1Aglycone:
COc1cccc(-c2nc(C)c(C(N)=O)s2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 410.45 | Num_heavy_atoms: | 28 |
| TPSA: | 141.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD37754
Formula: C12H12O2N2S
Smiles:
COc1cccc(-c2nc(C)c(C(N)=O)s2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 248.31 | Num_heavy_atoms: | 17 |
| TPSA: | 65.21 | NumAromaticRings: | 2 |
