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

Systemtic Name: 3-decoxy-4-[2-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxyethylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-decoxy-4-[2-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyethylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-decoxy-4-[2-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]ethylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-decoxy-4-[2-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-decoxy-4-[2-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-methylol-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyethylamino]cyclobut-3-ene-1,2-quinone Formula: C28H47NO14 MolecularWeight: 621.67108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C(=O)C1=O)NCCOC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCOC1=C(C(=O)C1=O)NCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O

InChI

InChI=1S/C28H47NO14/c1-2-3-4-5-6-7-8-9-11-39-26-17(19(33)21(26)35)29-10-12-40-27-24(38)22(36)25(16(14-31)42-27)43-28-23(37)20(34)18(32)15(13-30)41-28/h15-16,18,20,22-25,27-32,34,36-38H,2-14H2,1H3/t15-,16-,18+,20+,22-,23-,24-,25-,27-,28+/m1/s1