Cas no 207972-07-4 (Diderroside; O-De-Ac, O-tigloyl)

Diderroside; O-De-Ac, O-tigloyl structure
207972-07-4 structure
Product Name:Diderroside; O-De-Ac, O-tigloyl
CAS No:207972-07-4
MF:C22H32O13
MW:504.481688499451
CID:2728626
Update Time:2024-03-02

Diderroside; O-De-Ac, O-tigloyl Chemical and Physical Properties

Names and Identifiers

    • Gonocaryoside E
    • 8-O-tigloyldiderroside
    • (-)-Gonocaryoside E
    • Diderroside; O-De-Ac, O-tigloyl
    • Inchi: 1S/C22H32O13/c1-5-9(2)20(30)33-10(3)15-11(6-14(24)31-4)12(19(28)29)8-32-21(15)35-22-18(27)17(26)16(25)13(7-23)34-22/h5,8,10-11,13,15-18,21-23,25-27H,6-7H2,1-4H3,(H,28,29)
    • InChI Key: TUTUCWWXOAPPHZ-UHFFFAOYSA-N
    • SMILES: COC(CC1C(C(=O)O)=COC(OC2C(O)C(O)C(O)C(CO)O2)C1C(OC(C(=CC)C)=O)C)=O

Computed Properties

  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 35
  • XLogP3: -0.195000000000001
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