(2S,3S,4R,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-oxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[[4-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]carbamoylmethylsulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxy-oxane-2-carboxylic acid

Molecular Formula: C88H149N3O96S15


InChI: InChI=1/C88H149N3O96S15/c1-141-61-56(49(40-162-189(99,100)101)169-84(72(61)144-4)175-64-62(142-2)73(145-5)86(177-70(64)80(95)96)173-59-52(43-165-192(108,109)110)170-88(77(186-201(135,136)137)68(59)182-197(123,124)125)176-65-63(143-3)74(146-6)85(178-71(65)81(97)98)172-57-50(41-163-190(102,103)104)167-82(147-7)75(184-199(129,130)131)66(57)180-195(117,118)119)160-36-34-156-28-26-151-18-16-148-14-12-89-54(92)45-159-33-32-155-25-24-154-30-31-158-38-39-188-46-55(93)91-48-10-8-47(9-11-48)79(94)90-13-15-149-17-19-150-20-21-152-22-23-153-27-29-157-35-37-161-83-76(185-200(132,133)134)67(181-196(120,121)122)58(51(168-83)42-164-191(105,106)107)174-87-78(187-202(138,139)140)69(183-198(126,127)128)60(179-194(114,115)116)53(171-87)44-166-193(111,112)113/h8-11,49-53,56-78,82-88H,12-46H2,1-7H3,(H,89,92)(H,90,94)(H,91,93)(H,95,96)(H,97,98)(H,99,100,101)(H,102,103,104)(H,105,106,107)(H,108,109,110)(H,111,112,113)(H,114,115,116)(H,117,118,119)(H,120,121,122)(H,123,124,125)(H,126,127,128)(H,129,130,131)(H,132,133,134)(H,135,136,137)(H,138,139,140)/t49-,50-,51-,52-,53-,56-,57-,58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71-,72-,73-,74-,75-,76-,77-,78-,82+,83-,84-,85-,86-,87+,88-/m1/s1/f/h89-91,95,97,99,102,105,108,111,114,117,120,123,126,129,132,135,138H

InChIKey: InChIKey=ZIVZUWPKGJKWCX-RWDVQKPHDD
SMILES: COC1C(C(OC(C1OC)OC2C(C(C(OC2C(=O)O)OC3C(OC(C(C3OS(=O)(=O)O)OS(=O)(=O)O)OC4C(C(C(OC4C(=O)O)OC5C(OC(C(C5OS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)OCCOCCOCCOCCNC(=O)COCCOCCOCCOCCSCC(=O)NC6=CC=C(C=C6)C(=O)NCCOCCOCCOCCOCCOCCOC7C(C(C(C(O7)COS(=O)(=O)O)OC8C(C(C(C(O8)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

Names:
    (2S,3S,4R,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-oxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[[4-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]carbamoylmethylsulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxy-oxane-2-carboxylic acid

Registries:
    PubChem CID 10351647
    PubChem ID 15363361