Try beta.chemspider
- Double-bond stereo
- 34 of 34 defined stereocentres
(2S,3R,4E)-3-Hydroxy-2-(icosanoylamino)-4-octadecen-1-yl (6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-[(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2 R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->6)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyra noside
CC(=O)N[C@H]1[C@@H](O[C@@](C[C@@H]1O)(O[C@H]1[C@@H](O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)[C@H](O)[C@H]2O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO
InChI=1S/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(104)90-50(51(99)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)45-118-80-71(112)69(110)73(57(43-94)121-80)124-82-72(113)78(129-86(84(116)117)39-53(101)62(88-48(4)97)77(128-86)65(106)55(103)41-92)74(58(44-95)122-82)125-79-63(89-49(5)98)75(126-81-70(111)68(109)66(107)56(42-93)120-81)67(108)59(123-79)46-119-85(83(114)115)38-52(100)61(87-47(3)96)76(127-85)64(105)54(102)40-91/h34,36,50-59,61-82,91-95,99-103,105-113H,6-33,35,37-46H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,104)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65+,66-,67-,68-,69+,70+,71+,72+,73+,74-,75+,76+,77+,78+,79-,80+,81-,82-,85+,86-/m0/s1
XBCFQXKWAYZMNP-NLKDSNCCSA-N
CSID:113383898, http://www.chemspider.com/Chemical-Structure.113383898.html (accessed 04:33, Jun 1, 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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