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Hederacolchiside A1 | 106577-39-3

Product name:Hederacolchiside A1

CAS No:106577-39-3
MF:C47H76O16
MW:897.0968
MDL:MFCD28124360
CID:226774
Introduction
Conclusion: hederacolchiside A1, isolated from Pulsatilla chinensis, induces apoptosis by regulating pi3k/akt/mtor signaling pathway, thereby inhibiting the proliferation of tumor cells Hederacolchiside A1 has anti schistosomiasis activity and affects parasite viability in vivo and in vitro
Names and Identifiers
  • 4)]-a-L-arabinopyranosyl)oxy]-, (3b)-
  • Hederacolchiside A1
  • Oleanolic acid-3-O-a-L-rhamnopyranosyl-(1-> 2)-[b-D-glucopyranosyl-(1-> 4)]-a-L-arabinopyranoside
  • Raddeanoside R13
  • 8191AH
  • N2047
  • Oleanolic acid 3-o-beta-D-glucosyl-(1->3)-alpha-L-ramnosyl(1->2)-alpha-L-arabinoside
  • MDL:MFCD28124360
  • InChIKey:FYSAXYBPXKLMJO-IFECXJOTSA-N
  • Inchi:1S/C47H76O16/c1-22-30(49)33(52)35(54)38(59-22)63-37-32(51)26(61-39-36(55)34(53)31(50)25(20-48)60-39)21-58-40(37)62-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25+,26-,27-,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1
  • SMILES:O([C@H]1[C@@H]([C@H]([C@H](CO1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)CCC(C)(C)C[C@@]5([H])C4=CC[C@@]32[H])C1(C)C
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 897.1g/mol
  • Surface Charge: 0
  • XLogP3: 3.3
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 16
  • Rotatable Bond Count: 8
  • Monoisotopic Mass: 896.513336g/mol
  • Monoisotopic Mass: 896.513336g/mol
  • Topological Polar Surface Area: 255Ų
  • Heavy Atom Count: 63
  • Complexity: 1720
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 22
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1

Experimental Properties

  • Melting Point: 253-255 ºC (methanol , water )
  • Solubility: Insuluble (3.9E-4 g/L) (25 ºC),
  • Color/Form: Powder
  • Density: 1.36±0.1 g/cm3 (20 ºC 760 Torr),
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