3-ethoxy-4-[2-[3-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxypropylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-ethoxy-4-[2-[3-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxypropylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[2-[3-[(2R,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxypropylsulfanyl]ethylamino]-4-ethoxy-cyclobut-3- CAS Name: 3-[2-[3-[[(2R,3S,4S,5S,6R)-3-[[(2S,3S,4S,5S,6R)-3-[[(2S,3S,4S,5S,6R)-3-[[(2S,3S,4S,5S,6R)-3-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propylthio]ethylamino]-4-ethoxycyclobut-3-ene-1,2-dione IUPAC Name: 3-[2-[3-[(2R,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylsulfanyl]ethylamino]-4-ethoxycyclobut-3-ene-1,2-dione Traditional Name: 3-[2-[3-[(2R,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxypropylthio]ethylamino]-4-ethoxy-cyclobut-3-ene-1,2-quinone Formula: C47H77NO34S MolecularWeight: 1232.16558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)C1=O)NCCSCCCOC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O

Isomeric SMILES

CCOC1=C(C(=O)C1=O)NCCSCCCO[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

InChI

InChI=1S/C47H77NO34S/c1-2-70-36-20(27(61)34(36)68)48-4-7-83-6-3-5-71-43-37(29(63)22(56)15(9-50)73-43)79-45-39(31(65)24(58)17(11-52)75-45)81-47-41(33(67)26(60)19(13-54)77-47)82-46-40(32(66)25(59)18(12-53)76-46)80-44-38(30(64)23(57)16(10-51)74-44)78-42-35(69)28(62)21(55)14(8-49)72-42/h14-19,21-26,28-33,35,37-60,62-67,69H,2-13H2,1H3/t14-,15-,16-,17-,18-,19-,21-,22-,23-,24-,25-,26-,28+,29+,30+,31+,32+,33+,35+,37+,38+,39+,40+,41+,42+,43-,44+,45+,46+,47+/m1/s1