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(2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-phenylmethoxy-6-propan-2-yloxy-5-sulfooxy-oxan-3-yl]oxy-4-oxidanyl-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4-oxidanyl-5-sulfooxy-oxan-3-yl]oxy-4-oxidanyl-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4-oxidanyl-5-sulfooxy-oxane-2-carboxylic acid

Systemtic Name:	(2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-phenylmethoxy-6-propan-2-yloxy-5-sulfooxy-oxan-3-yl]oxy-4-oxidanyl-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4-oxidanyl-5-sulfooxy-oxan-3-yl]oxy-4-oxidanyl-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4-oxidanyl-5-sulfooxy-oxane-2-carboxylic acid
Openeye Name:	(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-4-benzyloxy-2-carboxy-6-isopropoxy-5-sulfooxy-tetrahydropyran-3-yl]oxy-4-hydroxy-5-(sulfoamino)-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-2-carboxy-4-hydroxy-5-sulfooxy-tetrahydropyran-3-yl]oxy-4-hydroxy-5-(sulfoamino)-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-5-sulfooxy-tetrahydropyran-2-carboxylic acid
CAS Name:	(2R,3S,4S,5R,6R)-6-[[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4S,5R,6R)-2-carboxy-6-[[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4S,5R,6R)-2-carboxy-4-phenylmethoxy-6-propan-2-yloxy-5-sulfooxy-3-oxanyl]oxy]-4-hydroxy-5-(sulfoamino)-2-(sulfooxymethyl)-3-oxanyl]oxy]-4-hydroxy-5-sulfooxy-3-oxanyl]oxy]-4-hydroxy-5-(sulfoamino)-2-(sulfooxymethyl)-3-oxanyl]oxy]-3-[[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)-2-oxanyl]oxy]-4-hydroxy-5-sulfooxy-2-oxanecarboxylic acid
IUPAC Name:	(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-phenylmethoxy-6-propan-2-yloxy-5-sulfooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4-hydroxy-5-sulfooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4-hydroxy-5-sulfooxyoxane-2-carboxylic acid
Traditional Name:	(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-4-benzoxy-2-carboxy-6-isopropoxy-5-sulfoxy-tetrahydropyran-3-yl]oxy-4-hydroxy-5-(sulfoamino)-2-(sulfoxymethyl)tetrahydropyran-3-yl]oxy-2-carboxy-4-hydroxy-5-sulfoxy-tetrahydropyran-3-yl]oxy-4-hydroxy-5-(sulfoamino)-2-(sulfoxymethyl)tetrahydropyran-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-5-sulfoxy-tetrahydropyran-2-carboxylic acid
Formula:	C₄₆H₇₁N₃O₅₈S₉
MolecularWeight:	1882.62624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1C(C(C(C(O1)C(=O)O)OC2C(C(C(C(O2)COS(=O)(=O)O)OC3C(C(C(C(O3)C(=O)O)OC4C(C(C(C(O4)COS(=O)(=O)O)OC5C(C(C(C(O5)C(=O)O)OC6C(C(C(C(O6)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O)OCC7=CC=CC=C7)OS(=O)(=O)O

Isomeric SMILES

CC(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)C(=O)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O)OCC7=CC=CC=C7)OS(=O)(=O)O

InChI

InChI=1S/C46H71N3O58S9/c1-12(2)93-46-37(107-116(86,87)88)32(89-8-13-6-4-3-5-7-13)33(36(104-46)40(60)61)101-43-19(49-110(68,69)70)23(53)27(16(96-43)11-92-113(77,78)79)98-45-31(106-115(83,84)85)25(55)29(35(103-45)39(58)59)100-42-18(48-109(65,66)67)22(52)26(15(95-42)10-91-112(74,75)76)97-44-30(105-114(80,81)82)24(54)28(34(102-44)38(56)57)99-41-17(47-108(62,63)64)21(51)20(50)14(94-41)9-90-111(71,72)73/h3-7,12,14-37,41-55H,8-11H2,1-2H3,(H,56,57)(H,58,59)(H,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24+,25+,26-,27-,28+,29+,30-,31-,32+,33+,34-,35-,36-,37-,41-,42-,43-,44-,45-,46-/m1/s1

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