[(3'aS,4'R,7'aR)-6'-[[(2R,3S)-1-(2-hydroxyethylamino)-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 2-[3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyprop-1-enyl]benzoate

Systemtic Name: [(3'aS,4'R,7'aR)-6'-[[(2R,3S)-1-(2-hydroxyethylamino)-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 2-[3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyprop-1-enyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-[[(1R,2S)-2-hydroxy-1-(2-hydroxyethylcarbamoyl)propyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] 2-[3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyprop-1-enyl]benzoate CAS Name: 2-[3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]prop-1-enyl]benzoic acid [(3'aS,4'R,7'aR)-6'-[[[(2R,3S)-3-hydroxy-1-(2-hydroxyethylamino)-1-oxobutan-2-yl]amino]-oxomethyl]-4'-spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]yl] ester IUPAC Name: [(3'aS,4'R,7'aR)-6'-[[(2R,3S)-3-hydroxy-1-(2-hydroxyethylamino)-1-oxobutan-2-yl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 2-[3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-enyl]benzoate Traditional Name: 2-[3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyprop-1-enyl]benzoic acid [(3aS,4R,7aR)-6-[[(1R,2S)-2-hydroxy-1-(2-hydroxyethylcarbamoyl)propyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] ester Formula: C38H46N2O14 MolecularWeight: 754.77684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NCCO)NC(=O)C1=CC2C(C(C1)OC(=O)C3=CC=CC=C3C=CCOC4C(C(C(C(O4)CO)O)O)O)OC5(O2)CC6=CC=CC=C6C5)O

Isomeric SMILES

C[C@@H]([C@H](C(=O)NCCO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=CC=C3C=CCO[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)OC5(O2)CC6=CC=CC=C6C5)O

InChI

InChI=1S/C38H46N2O14/c1-20(43)29(35(48)39-12-13-41)40-34(47)24-15-26(33-27(16-24)53-38(54-33)17-22-8-2-3-9-23(22)18-38)51-36(49)25-11-5-4-7-21(25)10-6-14-50-37-32(46)31(45)30(44)28(19-42)52-37/h2-11,16,20,26-33,37,41-46H,12-15,17-19H2,1H3,(H,39,48)(H,40,47)/t20-,26+,27+,28+,29+,30-,31-,32+,33-,37-/m0/s1