Cas no 956094-01-2 ([1,1':4',1''-Terphenyl]-2',3',4,4'',5'-pentol; 4,4''-Di-Me ether, 2'-O-β-D-glucopyranoside)

[1,1':4',1''-Terphenyl]-2',3',4,4'',5'-pentol; 4,4''-Di-Me ether, 2'-O-β-D-glucopyranoside structure
956094-01-2 structure
Product Name:[1,1':4',1''-Terphenyl]-2',3',4,4'',5'-pentol; 4,4''-Di-Me ether, 2'-O-β-D-glucopyranoside
CAS No:956094-01-2
MF:C26H28O10
MW:500.494528770447
CID:6731726
Update Time:2024-03-03

[1,1':4',1''-Terphenyl]-2',3',4,4'',5'-pentol; 4,4''-Di-Me ether, 2'-O-β-D-glucopyranoside Chemical and Physical Properties

Names and Identifiers

    • Gliocladinin B
    • (-)-Gliocladinin B
    • [1,1':4',1''-Terphenyl]-2',3',4,4'',5'-pentol; 4,4''-Di-Me ether, 2'-O-β-D-glucopyranoside
    • Inchi: 1S/C26H28O10/c1-33-15-7-3-13(4-8-15)17-11-18(28)20(14-5-9-16(34-2)10-6-14)22(30)25(17)36-26-24(32)23(31)21(29)19(12-27)35-26/h3-11,19,21,23-24,26-32H,12H2,1-2H3
    • InChI Key: CCJNSMAVIQYGNV-UHFFFAOYSA-N
    • SMILES: COC1C=CC(C2C(OC3C(O)C(O)C(O)C(CO)O3)=C(O)C(C3C=CC(OC)=CC=3)=C(O)C=2)=CC=1

Computed Properties

  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 36
  • XLogP3: 0.619
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