Glycoside
GD144958
Name:
3,4,5-trihydroxy-6-(4-{[(4-hydroxyphenyl)carbamothioyl]amino}phenoxy)oxane-2-carboxylic acidFormula:
C19H20O8N2SSmiles:
O=C(O)C1OC(Oc2ccc(NC(=S)Nc3ccc(O)cc3)cc2)C(O)C(O)C1OAglycone:
Oc1ccc(NC(=S)Nc2ccc(O)cc2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.44 | Num_heavy_atoms: | 30 |
| TPSA: | 160.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD58215
Formula: C13H12O2N2S
Smiles:
Oc1ccc(NC(=S)Nc2ccc(O)cc2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 260.32 | Num_heavy_atoms: | 18 |
| TPSA: | 64.52 | NumAromaticRings: | 2 |
