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Substance Name: Nocturnoside A
RN: 137318-80-0
InChIKey: HXWQHQCQOBWGDB-VDYHUCKYSA-N

Note

  • From Cestrum nocturnum.

Molecular Weight

  • 1211.299
 
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Names and Synonyms

Name of Substance

  • Nocturnoside A

Synonym

  • 3-O-(beta-D-Glucopyranosyl(1-3)-beta-D-glucopyranosyl(1-2)-beta-D-glucopyranosyl((3-1)-beta D-xylopyranosyl)(1-4)-beta-D-galactopyranosyl)(25R)-spirost-5-ene-2alpha,3beta-diol

Systematic Name

  • beta-D-Galactopyranoside, (2alpha,3beta,25R)-2-hydroxyspirost-5-en-3-yl O-beta-D-glucopyranosyl-(1-3)-O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)-

Registry Numbers

CAS Registry Number

  • 137318-80-0

System Generated Number

  • 0137318800

Structure Descriptors

InChI

1S/C56H90O28/c1-20-7-10-55(75-18-20)21(2)34-29(82-55)12-25-23-6-5-22-11-26(27(61)13-54(22,4)24(23)8-9-53(25,34)3)56(84-52-45(73)41(69)38(66)32(16-59)78-52)48(81-49-42(70)35(63)28(62)19-74-49)47(80-51-44(72)40(68)37(65)31(15-58)77-51)46(33(17-60)83-56)79-50-43(71)39(67)36(64)30(14-57)76-50/h5,20-21,23-52,57-73H,6-19H2,1-4H3/t20-,21+,23?,24?,25?,26?,27?,28-,29+,30-,31-,32-,33-,34+,35+,36-,37-,38-,39+,40+,41+,42-,43-,44-,45-,46+,47+,48-,49+,50+,51+,52+,53+,54+,55?,56+/m1/s1

InChIKey

HXWQHQCQOBWGDB-VDYHUCKYSA-N

Smiles

C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)CC4[C@@]3(CCC5C4CC=C6[C@@]5(CC(C(C6)[C@@]7([C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)C)C)C)OC1