Cas no 53823-08-8 (Cascaroside A)

Cascaroside A structure
Cascaroside A structure
Product Name:Cascaroside A
CAS No:53823-08-8
MF:C27H32O14
MW:580.534589767456
CID:377960
PubChem ID:442727
Update Time:2024-11-02

Cascaroside A Chemical and Physical Properties

Names and Identifiers

    • Cascaroside A
    • (10S)-1-hydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one
    • AI50I7OZY7
    • Cascaroside
    • LMPK13040003
    • 8-O-(beta-D-Glucopyranosyl)barbaloins
    • C10307
    • Q27106082
    • 9(10H)-ANTHRACENONE, 10-.BETA.-D-GLUCOPYRANOSYL-8-(.BETA.-D-GLUCOPYRANOSYLOXY)-1-HYDROXY-3-(HYDROXYMETHYL)-, (10S)-
    • 9(10H)-Anthracenone, 10-beta-D-glucopyranosyl-8-(beta-D-glucopyranosyloxy)-1-hydroxy-3-(hydroxymethyl)-
    • 9(10H)-Anthracenone, 10-beta-D-glucopyranosyl-8-(beta-D-glucopyranosyloxy)-1-hydroxy-3-(hydroxymethyl)-, (10S)-
    • DTXCID00124598
    • CASCAROSIDE A (CONSTITUENT OF CASCARA SAGRADA)
    • CASCAROSIDE A (CONSTITUENT OF CASCARA SAGRADA) [DSC]
    • 53823-08-8
    • CHEBI:3446
    • 50814-04-5
    • CASCAROSIDEA
    • DTXSID40202107
    • UNII-AI50I7OZY7
    • Cascaroside B
    • (-)-Cascaroside B
    • Inchi: 1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16+,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
    • InChI Key: MNAYRSRTNMVAPR-ZHVWOXMGSA-N
    • SMILES: O1[C@H](CO)[C@H]([C@@H]([C@H]([C@@H]1[C@@H]1C2C=C(CO)C=C(C=2C(C2C(=CC=CC1=2)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)=O)O)O)O)O

Computed Properties

  • Exact Mass: 580.179
  • Monoisotopic Mass: 580.179
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 6
  • Complexity: 907
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 247
  • XLogP3: -1.9

Experimental Properties

  • Density: 1.694
  • Boiling Point: 948.1°C at 760 mmHg
  • Flash Point: 315.2°C
  • Refractive Index: 1.726

Cascaroside A Pricemore >>

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