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Substance Name: Glycine, N-((5-((6-deoxy-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-11-ethoxy-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-
RN: 153619-35-3
InChIKey: SXKPLWDOLMNRLW-PCAYTWTGSA-N

Molecular Formula

  • C39-H41-N-O19

Molecular Weight

  • 827.7409
 
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Names and Synonyms

  • Glycine, N-((5-((6-deoxy-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-11-ethoxy-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

  • 153619-35-3

System Generated Number

  • 0153619353

Structure Descriptors

InChI

1S/C39H41NO19/c1-4-55-13-6-14-22(18(41)7-13)27(46)16-8-15-23(32(51)25(16)28(14)47)24-17(5-11(2)21(31(24)50)37(54)40-9-20(43)44)35(29(15)48)58-39-34(53)36(26(45)12(3)57-39)59-38-33(52)30(49)19(42)10-56-38/h5-8,12,19,26,29-30,33-36,38-39,41-42,45,48-53H,4,9-10H2,1-3H3,(H,40,54)(H,43,44)/t12-,19-,26+,29+,30+,33-,34-,35+,36+,38+,39+/m1/s1

InChIKey

SXKPLWDOLMNRLW-PCAYTWTGSA-N

Smiles

CCOc1cc2c(c(c1)O)C(=O)c3cc4c(c(c3C2=O)O)-c5c(cc(c(c5O)C(=O)NCC(=O)O)C)[C@@H]([C@H]4O)O[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