Glycoside
GD078028
Name:
NoneFormula:
C18H22O6N2SSmiles:
COc1cncc(Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c1Aglycone:
COc1cncc(Nc2ccc(S)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 394.45 | Num_heavy_atoms: | 27 |
| TPSA: | 124.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD35767
Formula: C12H12ON2S
Smiles:
COc1cncc(Nc2ccc(S)cc2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 232.31 | Num_heavy_atoms: | 16 |
| TPSA: | 34.15 | NumAromaticRings: | 2 |
