(2S,4S)-2-(1-hydroxyethyl)-4-[(4S,5S,6S)-4-[[4-[(3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-iodanyl-phenyl]methylamino]-6-methyl-5-oxidanyl-oxan-2-yl]oxy-7-methoxy-3,4,6,11-tetrahydro-1H-tetracene-2,5,6,11,12-pentol

Systemtic Name: (2S,4S)-2-(1-hydroxyethyl)-4-[(4S,5S,6S)-4-[[4-[(3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-iodanyl-phenyl]methylamino]-6-methyl-5-oxidanyl-oxan-2-yl]oxy-7-methoxy-3,4,6,11-tetrahydro-1H-tetracene-2,5,6,11,12-pentol Openeye Name: (2S,4S)-2-(1-hydroxyethyl)-4-[(4S,5S,6S)-5-hydroxy-4-[[3-iodo-4-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methylamino]-6-methyl-tetrahydropyran-2-yl]oxy-7-methoxy-3,4,6,11-tetrahydro-1H-tetracene-2,5,6,11,12-pentol CAS Name: (2S,4S)-2-(1-hydroxyethyl)-4-[[(4S,5S,6S)-5-hydroxy-4-[[3-iodo-4-[[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]methylamino]-6-methyl-2-oxanyl]oxy]-7-methoxy-3,4,6,11-tetrahydro-1H-tetracene-2,5,6,11,12-pentol IUPAC Name: (2S,4S)-2-(1-hydroxyethyl)-4-[(4S,5S,6S)-5-hydroxy-4-[[3-iodo-4-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methylamino]-6-methyloxan-2-yl]oxy-7-methoxy-3,4,6,11-tetrahydro-1H-tetracene-2,5,6,11,12-pentol Traditional Name: (2S,4S)-2-(1-hydroxyethyl)-4-[(4S,5S,6S)-5-hydroxy-4-[[3-iodo-4-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzyl]amino]-6-methyl-tetrahydropyran-2-yl]oxy-7-methoxy-3,4,6,11-tetrahydro-1H-tetracene-2,5,6,11,12-pentol Formula: C40H50INO16 MolecularWeight: 927.72657

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(C5=C(C=CC=C5OC)C(C4=C3O)O)O)O)(C(C)O)O)NCC6=CC(=C(C=C6)OC7C(C(C(C(O7)CO)O)O)O)I)O

Isomeric SMILES

C[C@H]1[C@H]([C@H](CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(C5=C(C=CC=C5OC)C(C4=C3O)O)O)O)(C(C)O)O)NCC6=CC(=C(C=C6)OC7[C@@H]([C@H]([C@@H]([C@@H](O7)CO)O)O)O)I)O

InChI

InChI=1S/C40H50INO16/c1-15-31(45)21(42-13-17-7-8-22(20(41)9-17)57-39-38(52)37(51)34(48)25(14-43)58-39)10-26(55-15)56-24-12-40(53,16(2)44)11-19-28(24)36(50)30-29(33(19)47)32(46)18-5-4-6-23(54-3)27(18)35(30)49/h4-9,15-16,21,24-26,31-32,34-35,37-39,42-53H,10-14H2,1-3H3/t15-,16?,21-,24-,25-,26?,31+,32?,34+,35?,37-,38+,39?,40-/m0/s1