6,10,3',4',6'-penta-O-benzoyl-6-epicatalpol

NatID	643
Nombre Común	6,10,3',4',6'-penta-O-benzoyl-6-epicatalpol
Fórmula Molecular	C85H72O20
Tipo Químico	Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives
Peso Molecular	1412.462 g/mol
Otros nombres

Smiles	O=C(OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(COC(=O)C(O)(c4ccccc4)c4ccccc4)O[C@H]2[C@@H]3OC(=O)C(O)(c2ccccc2)c2ccccc2)[C@H](O)[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)[C@@H]1OC(=O)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1
Inchi	InChI=1S/C85H72O20/c86-68-71(103-79(91)85(96,63-47-27-9-28-48-63)64-49-29-10-30-50-64)70(102-78(90)84(95,61-43-23-7-24-44-61)62-45-25-8-26-46-62)66(53-98-75(87)81(92,55-31-11-1-12-32-55)56-33-13-2-14-34-56)100-74(68)104-73-67-65(51-52-97-73)69(101-77(89)83(94,59-39-19-5-20-40-59)60-41-21-6-22-42-60)72-80(67,105-72)54-99-76(88)82(93,57-35-15-3-16-36-57)58-37-17-4-18-38-58/h1-52,65-74,86,92-96H,53-54H2/t65-,66-,67-,68-,69-,70-,71-,72+,73+,74+,80-/m1/s1
Inchi Key	ZKRRMYQXNLPGEW-RNYHKSKISA-N
Estructura 3D

EID	Fuente	Semisintético?	Confidence level	Referencias
9274	Buddleja cordobensis	No	Very High	Garro, H. A., García, C., Martín, V. S., Tonn, C. E., & Pungitore, C. R. (2015). A new iridoid, verbascoside and derivatives with inhibitory activity against Taq DNA polymerase. Bioorganic & Medicinal Chemistry Letters, 25(4), 914–918. https://doi.org/10.1016/j.bmcl.2014.12.052

ID Bioensayo	ID NPASS	Blanco	Tipo de actividad	Actividad