N-[(2S,6R)-6-(hydroxymethyl)-2-[6'-[(2S,3S)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(propanoylamino)oxan-2-yl]oxy-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]-2-methyl-propanamide

Systemtic Name: N-[(2S,6R)-6-(hydroxymethyl)-2-[6'-[(2S,3S)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(propanoylamino)oxan-2-yl]oxy-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]-2-methyl-propanamide Openeye Name: N-[(2S,6R)-2-[6'-[(2S,3S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(propanoylamino)tetrahydropyran-2-yl]oxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]-2-methyl-propanamide CAS Name: N-[(2S,6R)-2-[[6'-[[(2S,3S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(1-oxopropylamino)-2-oxanyl]oxy]-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]-2-methylpropanamide IUPAC Name: N-[(2S,6R)-2-[6'-[(2S,3S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(propanoylamino)oxan-2-yl]oxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-methylpropanamide Traditional Name: N-[(2S,6R)-2-[6'-[(2S,3S)-4,5-dihydroxy-6-methylol-3-propionamido-tetrahydropyran-2-yl]oxy-3-keto-spiro[phthalan-1,9'-xanthene]-3'-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]-2-methyl-propionamide Formula: C39H44N2O15 MolecularWeight: 780.77106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1C(C(C(OC1OC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)OC6C(C(C(C(O6)CO)O)O)NC(=O)C(C)C)C7=CC=CC=C7C(=O)O4)CO)O)O

Isomeric SMILES

CCC(=O)N[C@@H]1[C@@H](OC(C(C1O)O)CO)OC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)O[C@H]6C(C(C([C@H](O6)CO)O)O)NC(=O)C(C)C)C7=CC=CC=C7C(=O)O4

InChI

InChI=1S/C39H44N2O15/c1-4-28(44)40-29-33(47)31(45)26(15-42)54-37(29)51-18-9-11-22-24(13-18)53-25-14-19(10-12-23(25)39(22)21-8-6-5-7-20(21)36(50)56-39)52-38-30(41-35(49)17(2)3)34(48)32(46)27(16-43)55-38/h5-14,17,26-27,29-34,37-38,42-43,45-48H,4,15-16H2,1-3H3,(H,40,44)(H,41,49)/t26?,27-,29+,30?,31?,32?,33?,34?,37-,38-,39?/m1/s1