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Substance Name: Glycine, N-((11-(2-amino-2-oxoethoxy)-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: 153619-39-7
InChIKey: XSNMEHNJCANNHC-VXZZRRSRSA-N

Molecular Formula

  • C39-H40-N2-O20

Molecular Weight

  • 856.739
 
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Names and Synonyms

  • Glycine, N-((11-(2-amino-2-oxoethoxy)-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

  • 153619-39-7

System Generated Number

  • 0153619397

Structure Descriptors

InChI

1S/C39H40N2O20/c1-10-3-16-24(31(52)21(10)37(56)41-7-20(45)46)23-14(6-15-25(32(23)53)28(49)13-4-12(57-9-19(40)44)5-17(42)22(13)27(15)48)29(50)35(16)60-39-34(55)36(26(47)11(2)59-39)61-38-33(54)30(51)18(43)8-58-38/h3-6,11,18,26,29-30,33-36,38-39,42-43,47,50-55H,7-9H2,1-2H3,(H2,40,44)(H,41,56)(H,45,46)/t11-,18-,26+,29+,30+,33-,34-,35+,36+,38+,39+/m1/s1

InChIKey

XSNMEHNJCANNHC-VXZZRRSRSA-N

Smiles

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