Cas no 347894-57-9 (Holost-7-ene-3,16-diol; (3β,9α,16β)-form, 16-Ac, 3-O-[3-O-methyl-6-O-sulfo-β-D-glucopyranosyl-(1→3)-6-O-sulfo-β-D-glucopyranosyl-(1→4)-6-deoxy-β-D-glucopyranosyl-(1→2)-4-O-sulfo-β-D-xylopyranoside])

Holost-7-ene-3,16-diol; (3β,9α,16β)-form, 16-Ac, 3-O-[3-O-methyl-6-O-sulfo-β-D-glucopyranosyl-(1→3)-6-O-sulfo-β-D-glucopyranosyl-(1→4)-6-deoxy-β-D-glucopyranosyl-(1→2)-4-O-sulfo-β-D-xylopyranoside] structure
347894-57-9 structure
Product Name:Holost-7-ene-3,16-diol; (3β,9α,16β)-form, 16-Ac, 3-O-[3-O-methyl-6-O-sulfo-β-D-glucopyranosyl-(1→3)-6-O-sulfo-β-D-glucopyranosyl-(1→4)-6-deoxy-β-D-glucopyranosyl-(1→2)-4-O-sulfo-β-D-xylopyranoside]
CAS No:347894-57-9
MF:C56H90O32S3
MW:1371.48961782455
CID:6687893
Update Time:2024-03-02

Holost-7-ene-3,16-diol; (3β,9α,16β)-form, 16-Ac, 3-O-[3-O-methyl-6-O-sulfo-β-D-glucopyranosyl-(1→3)-6-O-sulfo-β-D-glucopyranosyl-(1→4)-6-deoxy-β-D-glucopyranosyl-(1→2)-4-O-sulfo-β-D-xylopyranoside] Chemical and Physical Properties

Names and Identifiers

    • (-)-Liouvilloside A
    • Holost-7-ene-3,16-diol; (3β,9α,16β)-form, 16-Ac, 3-O-[3-O-methyl-6-O-sulfo-β-D-glucopyranosyl-(1→3)-6-O-sulfo-β-D-glucopyranosyl-(1→4)-6-deoxy-β-D-glucopyranosyl-(1→2)-4-O-sulfo-β-D-xylopyranoside]
    • Inchi： 1S/C56H90O32S3/c1-24(2)12-11-17-55(9)46-29(80-26(4)57)20-54(8)28-13-14-33-52(5,6)34(16-18-53(33,7)27(28)15-19-56(46,54)51(65)87-55)83-50-45(37(60)32(21-76-50)88-91(72,73)74)86-47-39(62)38(61)42(25(3)79-47)84-49-41(64)44(36(59)31(82-49)23-78-90(69,70)71)85-48-40(63)43(75-10)35(58)30(81-48)22-77-89(66,67)68/h13,24-25,27,29-50,58-64H,11-12,14-23H2,1-10H3,(H,66,67,68)(H,69,70,71)(H,72,73,74)
    • InChI Key： GHVTXBCGOPYFKA-UHFFFAOYSA-N
    • SMILES： COC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(OC4C(OC5C(C)(C)C6C(C7C(=CC6)C6(C8(C(=O)OC(CCCC(C)C)(C)C8C(OC(=O)C)C6)CC7)C)(C)CC5)OCC(OS(=O)(=O)O)C4O)OC3C)OC(COS(=O)(=O)O)C2O)OC(COS(=O)(=O)O)C1O

Computed Properties

  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 32
  • Heavy Atom Count: 91
  • XLogP3: -2.617

Holost-7-ene-3,16-diol; (3β,9α,16β)-form, 16-Ac, 3-O-[3-O-methyl-6-O-sulfo-β-D-glucopyranosyl-(1→3)-6-O-sulfo-β-D-glucopyranosyl-(1→4)-6-deoxy-β-D-glucopyranosyl-(1→2)-4-O-sulfo-β-D-xylopyranoside] Related Literature

Related Categories

347894-57-9 (Holost-7-ene-3,16-diol; (3β,9α,16β)-form, 16-Ac, 3-O-[3-O-methyl-6-O-sulfo-β-D-glucopyranosyl-(1→3)-6-O-sulfo-β-D-glucopyranosyl-(1→4)-6-deoxy-β-D-glucopyranosyl-(1→2)-4-O-sulfo-β-D-xylopyranoside]) Related Products

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