Verbaskozid
Identifikacija
CAS registarski broj 61276-17-3 Y
PubChem [1] [2] 5281800
ChEMBL [3] CHEMBL231853 Y
Jmol -3D slikeSlika 1
CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)C=Cc4ccc(O)c(O)c4)C(O)C(O)C1O
InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3 Y Y
Svojstva
Molekulska formula C29 H36 O15
Molarna masa 624.59 g mol−1
standardno stanje (25 °C, 100 kPa) materijala
Infobox references
Verbaskozid je organsko jedinjenje , koje sadrži 29 atoma ugljenika i ima molekulsku masu od 624,587 Da
↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). "PubChem as a public resource for drug discovery." . Drug Discov Today 15 (23-24): 1052–7. doi :10.1016/j.drudis.2010.10.003 . PMID 20970519 . edit ↑ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). "Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities". Annual Reports in Computational Chemistry 4 : 217–241. doi :10.1016/S1574-1400(08)00012-1 . ↑ Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). "ChEMBL: a large-scale bioactivity database for drug discovery". Nucleic Acids Res 40 (Database issue): D1100–7. doi :10.1093/nar/gkr777 . PMID 21948594 . edit ↑ Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). "Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods" . J. Phys. Chem. A 102 : 3762–3772. doi :10.1021/jp980230o . ↑ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). "Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices" . Chem Inf. Comput. Sci. 41 : 1488–1493. doi :10.1021/ci000392t . PMID 11749573 . ↑ Ertl P., Rohde B., Selzer P. (2000). "Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties" . J. Med. Chem. 43 : 3714–3717. doi :10.1021/jm000942e . PMID 11020286 .
