Try beta.chemspider
- 21 of 23 defined stereocentres
(2S,3R)-3-Hydroxy-2-(icosanoylamino)octadecyl 5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-[2-deoxy-2-(2-oxopropyl)-beta-D-galactopyranosyl-(1->4 )]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
CC(=O)C[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1O)O[C@@H]1[C@H](O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)C(O2)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H](O)[C@@H](O[C@@H]1CO)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC)[C@H](O)CCCCCCCCCCCCCCC)[C@H](O)[C@H]1O
InChI=1S/C70H128N2O26/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-54(82)72-47(48(79)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)43-91-67-60(87)59(86)62(52(41-75)93-67)95-68-61(88)65(63(53(42-76)94-68)96-66-46(37-44(3)77)56(83)58(85)51(40-74)92-66)98-70(69(89)90)38-49(80)55(71-45(4)78)64(97-70)57(84)50(81)39-73/h46-53,55-68,73-76,79-81,83-88H,5-43H2,1-4H3,(H,71,78)(H,72,82)(H,89,90)/t46-,47+,48-,49+,50?,51-,52-,53-,55-,56-,57-,58+,59-,60-,61-,62-,63+,64?,65-,66+,67-,68+,70+/m1/s1
HHICAKHAJPYDIT-APSJGOAJSA-N
CSID:76003953, http://www.chemspider.com/Chemical-Structure.76003953.html (accessed 01:47, Jun 16, 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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