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Substance Name: Glycine, N-((11-(aminocarbonyl)-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: 153619-43-3
InChIKey: LOTMZKBDTBGHAJ-MGGSYARVSA-N

Molecular Formula

  • C38-H38-N2-O19

Molecular Weight

  • 826.7132
 
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Names and Synonyms

  • Glycine, N-((11-(aminocarbonyl)-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

  • 153619-43-3

System Generated Number

  • 0153619433

Structure Descriptors

InChI

1S/C38H38N2O19/c1-9-3-15-22(29(50)19(9)36(55)40-7-18(43)44)21-13(6-14-23(30(21)51)26(47)12-4-11(35(39)54)5-16(41)20(12)25(14)46)27(48)33(15)58-38-32(53)34(24(45)10(2)57-38)59-37-31(52)28(49)17(42)8-56-37/h3-6,10,17,24,27-28,31-34,37-38,41-42,45,48-53H,7-8H2,1-2H3,(H2,39,54)(H,40,55)(H,43,44)/t10-,17-,24+,27+,28+,31-,32-,33+,34+,37+,38+/m1/s1

InChIKey

LOTMZKBDTBGHAJ-MGGSYARVSA-N

Smiles

Cc1cc2c(c(c1C(=O)NCC(=O)O)O)-c3c(cc4c(c3O)C(=O)c5cc(cc(c5C4=O)O)C(=O)N)[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