[4-[[(3R,4S,5S,6S)-6-methoxycarbonyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycarbonylamino]phenyl]methyl (3aS,4S,7aS)-6-[[(1S,3S)-10-methoxy-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-methyl-2,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazole-1-carboxylate

Systemtic Name: [4-[[(3R,4S,5S,6S)-6-methoxycarbonyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycarbonylamino]phenyl]methyl (3aS,4S,7aS)-6-[[(1S,3S)-10-methoxy-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-methyl-2,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazole-1-carboxylate Openeye Name: [4-[[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxycarbonyl-tetrahydropyran-2-yl]oxycarbonylamino]phenyl]methyl (3aS,4S,7aS)-4-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2,3a,4,6,7,7a-hexahydropyrano[4,3-d]oxazole-1-carboxylate CAS Name: (3aS,4S,7aS)-4-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxy-1-oxoethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2,3a,4,6,7,7a-hexahydropyrano[4,3-d]oxazole-1-carboxylic acid [4-[[oxo-[[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxycarbonyl-2-oxanyl]oxy]methyl]amino]phenyl]methyl ester IUPAC Name: [4-[[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl]oxycarbonylamino]phenyl]methyl (3aS,4S,7aS)-4-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazole-1-carboxylate Traditional Name: (3aS,4S,7aS)-6-[[(1S,3S)-3-glycoloyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-methyl-2,3a,4,6,7,7a-hexahydropyrano[4,3-d]oxazole-1-carboxylic acid [4-[[(3R,4S,5S,6S)-6-carbomethoxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxycarbonylamino]benzyl] ester Formula: C44H46N2O21 MolecularWeight: 938.83684

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(CC(O1)OC3CC(CC4=C(C5=C(C(=C34)O)C(=O)C6=C(C5=O)C=CC=C6OC)O)(C(=O)CO)O)N(CO2)C(=O)OCC7=CC=C(C=C7)NC(=O)OC8C(C(C(C(O8)C(=O)OC)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]2[C@H](CC(O1)O[C@H]3C[C@@](CC4=C(C5=C(C(=C34)O)C(=O)C6=C(C5=O)C=CC=C6OC)O)(C(=O)CO)O)N(CO2)C(=O)OCC7=CC=C(C=C7)NC(=O)OC8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)OC)O)O)O

InChI

InChI=1S/C44H46N2O21/c1-17-38-22(46(16-63-38)43(58)62-15-18-7-9-19(10-8-18)45-42(57)67-41-37(55)35(53)36(54)39(66-41)40(56)61-3)11-26(64-17)65-24-13-44(59,25(48)14-47)12-21-28(24)34(52)30-29(32(21)50)31(49)20-5-4-6-23(60-2)27(20)33(30)51/h4-10,17,22,24,26,35-39,41,47,50,52-55,59H,11-16H2,1-3H3,(H,45,57)/t17-,22-,24-,26?,35-,36-,37+,38+,39-,41?,44-/m0/s1