ANTIBIOTIC K 41, MONOSODIUM SALT

69307-91-1

MFCD01939361

C48 H81 O18 . Na

969.14

InChI=1S/C48H82O18.Na/c1-23-38(62-37-20-18-30(54-10)28(6)59-37)25(3)46(9,52)65-39(23)33-16-15-31(60-33)32-17-19-35(61-32)45(8)42(57-13)27(5)48(66-45)24(2)34(55-11)21-29(63-48)22-36-44(7,58-14)41(56-12)26(4)47(53,64-36)40(49)43(50)51;/h23-42,49,52-53H,15-22H2,1-14H3,(H,50,51);/q;+1/p-1/t23-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33+,34+,35+,36-,37-,38-,39-,40-,41-,42+,44-,45+,46-,47-,48-;/m0./s1

InChIKey=OBROZTNUCRYRNA-GYTRHAMMSA-M

C[C@@H]1[C@H](O[C@]([C@@H]([C@H]1O[C@H]2CC[C@@H]([C@H](O2)C)OC)C)(C)O)[C@H]3CC[C@@H](O3)[C@@H]4CC[C@@H](O4)[C@@]5([C@@H]([C@H]([C@@]6(O5)[C@@H]([C@@H](C[C@H](O6)C[C@H]7[C@]([C@H]([C@@H]([C@](O7)([C@H](C(=O)[O-])O)O)C)OC)(C)OC)OC)C)C)OC)C.[Na+]

pro_donors:3

pro_acceptors:18

XLogP3:4.0

Bulk/Fine:F