VENALOT

39291-13-9

MFCD01741814

C33 H42 O19 . C9 H6 O2 . Na . H O4 S

1008.88

InChI=1S/C33H42O19.C9H6O2.Na.H2O4S/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36;10-9-6-5-7-3-1-2-4-8(7)11-9;;1-5(2,3)4/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3;1-6H;;(H2,1,2,3,4)/q;;+1;/p-1/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-;;;/m0.../s1

InChIKey=DLTUCTOQLDSKOG-KVAGASMTSA-M

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)OCCO)OCCO)OCCO)O)O)O)O)O)O)O.c1ccc2c(c1)ccc(=O)o2.OS(=O)(=O)[O-].[Na+]

H bond donor:10

H bond acceptor:19

XLogP3:-2.0

Bulk/Fine:F