[(2r,3r,4s,5r,6r)-4-[(2s,3r,4s,5s,6r)-4-hydroxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[[(2r,3r,4r,5s,6r)-5-[(2r,3s,4r,5r,6r)-2-hydroxy-4,5-disulfooxy-6-(sulfooxymethyl)oxan-3-yl]oxy-6-[(2s,3s,4r,5r,6r)-3-hydroxy-4,5-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,4-disulfooxyoxan-2-yl]methoxy]-3,5-disulfooxyoxan-2-yl]methyl hydrogen sulfate

Structural Information

Molecular Formula

C₃₀H₅₂O₆₈S₁₄

SMILES

C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O[C@H]3[C@H]([C@@H]([C@H](O[C@H]3O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)O)OS(=O)(=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C30H52O68S14/c31-11-13(89-103(46,47)48)7(2-77-99(34,35)36)85-29(19(11)95-109(64,65)66)87-20-15(91-105(52,53)54)10(5-80-102(43,44)45)83-28(25(20)98-112(73,74)75)76-1-6-16(92-106(55,56)57)22(97-111(70,71)72)24(86-23-21(96-110(67,68)69)17(93-107(58,59)60)8(81-26(23)33)3-78-100(37,38)39)30(84-6)88-27-12(32)18(94-108(61,62)63)14(90-104(49,50)51)9(82-27)4-79-101(40,41)42/h6-33H,1-5H2,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)/t6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20+,21+,22+,23+,24+,25-,26-,27+,28-,29+,30-/m1/s1

InChIKey

ZNVLBFGRYYWTDE-OIAPPWIOSA-N

Compound name

[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-hydroxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-5-[(2R,3S,4R,5R,6R)-2-hydroxy-4,5-disulfooxy-6-(sulfooxymethyl)oxan-3-yl]oxy-6-[(2S,3S,4R,5R,6R)-3-hydroxy-4,5-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,4-disulfooxyoxan-2-yl]methoxy]-3,5-disulfooxyoxan-2-yl]methyl hydrogen sulfate

Related CIDs

• CID 86576037