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Substance Name: Glycine, N-((5-((6-deoxy-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-11-(2-fluoroethoxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-
RN: 153619-36-4
InChIKey: PFIBNGKCPGAJCL-PCAYTWTGSA-N

Molecular Formula

  • C39-H40-F-N-O19

Molecular Weight

  • 845.731
 
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Names and Synonyms

  • Glycine, N-((5-((6-deoxy-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-11-(2-fluoroethoxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 153619-36-4

System Generated Number

  • 0153619364

Structure Descriptors

InChI

1S/C39H40FNO19/c1-11-5-17-24(31(51)21(11)37(55)41-9-20(44)45)23-15(8-16-25(32(23)52)28(48)14-6-13(56-4-3-40)7-18(42)22(14)27(16)47)29(49)35(17)59-39-34(54)36(26(46)12(2)58-39)60-38-33(53)30(50)19(43)10-57-38/h5-8,12,19,26,29-30,33-36,38-39,42-43,46,49-54H,3-4,9-10H2,1-2H3,(H,41,55)(H,44,45)/t12-,19-,26+,29+,30+,33-,34-,35+,36+,38+,39+/m1/s1

InChIKey

PFIBNGKCPGAJCL-PCAYTWTGSA-N

Smiles

Cc1cc2c(c(c1C(=O)NCC(=O)O)O)-c3c(cc4c(c3O)C(=O)c5cc(cc(c5C4=O)O)OCCF)[C@@H]([C@H]2O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O