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Substance Name: Glycine, N-((5-((6-deoxy-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-
RN: 153619-40-0
InChIKey: DTXGEHVQSHGNMI-PEKIDXKVSA-N

Molecular Formula

  • C37-H37-N-O18

Molecular Weight

  • 783.6883
 
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Names and Synonyms

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

  • 153619-40-0

System Generated Number

  • 0153619400

Structure Descriptors

InChI

1S/C37H37NO18/c1-10-6-15-22(29(48)19(10)35(52)38-8-18(41)42)21-13(7-14-23(30(21)49)25(44)12-4-3-5-16(39)20(12)26(14)45)27(46)33(15)55-37-32(51)34(24(43)11(2)54-37)56-36-31(50)28(47)17(40)9-53-36/h3-7,11,17,24,27-28,31-34,36-37,39-40,43,46-51H,8-9H2,1-2H3,(H,38,52)(H,41,42)/t11-,17-,24+,27+,28+,31-,32-,33+,34+,36+,37+/m1/s1

InChIKey

DTXGEHVQSHGNMI-PEKIDXKVSA-N

Smiles

Cc1cc2c(c(c1C(=O)NCC(=O)O)O)-c3c(cc4c(c3O)C(=O)c5cccc(c5C4=O)O)[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