Try beta.chemspider
- Double-bond stereo
- 27 of 34 defined stereocentres
(2S,4S,5R,6R)-5-acetamido-2-[[(2S,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-4-[(2R,3R,4S,5S,6R)-4-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-[(2R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]tetrahydropyran-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxymethyl]-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid
CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OCC5(CC(C(C(O5)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)OCC6(CC(C(C(O6)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O
InChI=1S/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(105)90-50(51(100)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-118-80-69(111)68(110)72(58(42-95)123-80)125-82-71(113)78(120-46-86(84(116)117)37-53(102)62(88-48(4)98)76(129-86)65(107)55(104)39-92)73(59(43-96)124-82)126-79-63(89-49(5)99)74(66(108)56(40-93)121-79)127-81-70(112)77(67(109)57(41-94)122-81)119-45-85(83(114)115)36-52(101)61(87-47(3)97)75(128-85)64(106)54(103)38-91/h32,34,50-59,61-82,91-96,100-104,106-113H,6-31,33,35-46H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,105)(H,114,115)(H,116,117)/b34-32+/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
NBPFOTUOURPBCQ-BJDTYPDPSA-N
CSID:8052988, http://www.chemspider.com/Chemical-Structure.8052988.html (accessed 14:52, Apr 24, 2024)
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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