sodium (2S,3S,4S,5R,6S)-6-[[4-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]carbamoyloxymethyl]phenyl]carbamoyloxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylate

Systemtic Name: sodium (2S,3S,4S,5R,6S)-6-[[4-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]carbamoyloxymethyl]phenyl]carbamoyloxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylate Openeye Name: sodium (2S,3S,4S,5R,6S)-6-[[4-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]carbamoyloxymethyl]phenyl]carbamoyloxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate CAS Name: sodium (2S,3S,4S,5R,6S)-6-[[4-[[[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-4-oxanyl]amino]-oxomethoxy]methyl]anilino]-oxomethoxy]-3,4,5-trihydroxy-2-oxanecarboxylate IUPAC Name: sodium (2S,3S,4S,5R,6S)-6-[[4-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]carbamoyloxymethyl]phenyl]carbamoyloxy]-3,4,5-trihydroxyoxane-2-carboxylate Traditional Name: sodium (2S,3S,4S,5R,6S)-6-[[4-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]carbamoyloxymethyl]phenyl]carbamoyloxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate Formula: C42H43N2NaO20 MolecularWeight: 918.78199

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)NC(=O)OCC6=CC=C(C=C6)NC(=O)OC7C(C(C(C(O7)C(=O)[O-])O)O)O)O.[Na+]

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)NC(=O)OCC6=CC=C(C=C6)NC(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)[O-])O)O)O)O.[Na+]

InChI

InChI=1S/C42H44N2O20.Na/c1-15-29(46)21(44-40(56)60-14-17-7-9-18(10-8-17)43-41(57)64-39-36(53)34(51)35(52)37(63-39)38(54)55)11-24(61-15)62-23-13-42(58,16(2)45)12-20-26(23)33(50)28-27(31(20)48)30(47)19-5-4-6-22(59-3)25(19)32(28)49;/h4-10,15,21,23-24,29,34-37,39,46,48,50-53,58H,11-14H2,1-3H3,(H,43,57)(H,44,56)(H,54,55);/q;+1/p-1/t15-,21-,23-,24-,29+,34-,35-,36+,37-,39-,42-;/m0./s1