- Double-bond stereo
- 27 of 29 defined stereocentres
(2S,3R,4E)-3-Hydroxy-2-(pentacosanoylamino)-4-octadecen-1-yl 5-acetamido-6-[(1S,2R)-2-({5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxyp ropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-[2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)O[C@@]4(C[C@@H]([C@H](C(O4)[C@@H]([C@@H](CO)O[C@@]5(C[C@@H]([C@H](C(O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O
InChI=1S/C85H152N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-63(102)89-54(55(98)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2)50-114-80-72(108)71(107)74(61(48-93)116-80)118-81-73(109)78(75(62(49-94)117-81)119-79-66(88-53(5)97)70(106)68(104)59(46-91)115-79)123-85(83(112)113)44-57(100)65(87-52(4)96)77(122-85)69(105)60(47-92)120-84(82(110)111)43-56(99)64(86-51(3)95)76(121-84)67(103)58(101)45-90/h39,41,54-62,64-81,90-94,98-101,103-109H,6-38,40,42-50H2,1-5H3,(H,86,95)(H,87,96)(H,88,97)(H,89,102)(H,110,111)(H,112,113)/b41-39+/t54-,55+,56-,57-,58+,59+,60+,61+,62+,64+,65+,66+,67+,68-,69+,70+,71+,72+,73+,74+,75-,76?,77?,78+,79-,80+,81-,84+,85-/m0/s1
JBVRGVXYPMEGLV-WAOGFRARSA-N
CSID:17216312, http://www.chemspider.com/Chemical-Structure.17216312.html (accessed 20:22, Apr 19, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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