PM0

premithramycin B


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Chemical Component Summary

Namepremithramycin B
Synonyms(1S,4aS,12aS)-3-acetyl-9-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-2,6,7-trihydroxy-1-methoxy-8-methyl-4,5-dioxo-1,5,12,12a-tetrahydrotetracen-4a(4H)-yl 2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranoside
Identifiers(4S,4aS,12aS)-12a-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4-[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyl-oxan-2-yl]oxy-5-hydroxy-6-methyl-oxan-2-yl]oxy-5-hydroxy-6-methyl-oxan-2-yl]oxy-8-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-5-hydroxy-6-methyl-oxan-2-yl]oxy-2-ethanoyl-3,10,11-trihydroxy-4-methoxy-9-methyl-4a,5-dihydro-4H-tetracene-1,12-dione
FormulaC53 H72 O24
Molecular Weight1,093.124
TypeNON-POLYMER
Isomeric SMILESCc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@]4([C@@H](C3)[C@@H](C(=C(C4=O)C(=O)C)O)OC)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)O[C@H]6C[C@H]([C@H]([C@H](O6)C)O)O[C@H]7C[C@]([C@@H]([C@H](O7)C)O)(C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O
InChIInChI=1S/C53H72O24/c1-18-29(73-34-14-30(43(58)21(4)69-34)74-33-13-28(55)42(57)20(3)68-33)12-26-10-25-11-27-48(67-9)47(62)38(19(2)54)50(64)53(27,51(65)40(25)46(61)39(26)41(18)56)77-36-16-32(45(60)23(6)71-36)75-35-15-31(44(59)22(5)70-35)76-37-17-52(8,66)49(63)24(7)72-37/h10,12,20-24,27-28,30-37,42-45,48-49,55-63,66H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,42-,43-,44+,45-,48+,49-,52+,53-/m1/s1
InChIKeyHCTADUCAPFYREF-OFWAWROCSA-N

Chemical Details

Formal Charge0
Atom Count149
Chiral Atom Count23
Bond Count157
Aromatic Bond Count11