Glycoside
GD125528
Name:
3,4,5-trihydroxy-6-{4-[(phenylcarbamothioyl)amino]phenoxy}oxane-2-carboxylic acidFormula:
C19H20O7N2SSmiles:
O=C(O)C1OC(Oc2ccc(NC(S)=Nc3ccccc3)cc2)C(O)C(O)C1OAglycone:
Oc1ccc(NC(S)=Nc2ccccc2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 420.44 | Num_heavy_atoms: | 29 |
| TPSA: | 140.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD50767
Formula: C13H12ON2S
Smiles:
Oc1ccc(NC(S)=Nc2ccccc2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.32 | Num_heavy_atoms: | 17 |
| TPSA: | 44.62 | NumAromaticRings: | 2 |
