Cas no 66663-91-0 (Polygalacin D)

Polygalacin D structure
Polygalacin D structure
Product Name:Polygalacin D
CAS No:66663-91-0
MF:C57H92O27
MW:1209.32420158386
CID:522593
Update Time:2025-04-19

Polygalacin D Chemical and Physical Properties

Names and Identifiers

    • Polygalacin D
    • Onjisaponin D
    • 2)-a-L-arabinopyranosyl ester, (2b,3b,4b,16a)-
    • 3)-O-b-D-xylopyranosyl-(1&reg
    • 4)-O-6-deoxy-a-L-mannopyranosyl-(1&reg
    • Olean-12-en-28-oicacid, 3-(b-D-glucopyranosyloxy)-2,16,23-trihydroxy-,O-D-apio-b-D-furanosyl-(1&reg
    • polygalacin-D
    • [(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)oxo
    • [(2S,3R,4S,5R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)oxo
    • Inchi: 1S/C57H92O27/c1-23-40(80-45-39(71)41(28(63)19-75-45)81-49-43(72)56(74,21-60)22-77-49)36(68)38(70)46(78-23)82-42-33(65)27(62)18-76-48(42)84-50(73)57-13-12-51(2,3)14-25(57)24-8-9-31-52(4)15-26(61)44(83-47-37(69)35(67)34(66)29(17-58)79-47)53(5,20-59)30(52)10-11-54(31,6)55(24,7)16-32(57)64/h8,23,25-49,58-72,74H,9-22H2,1-7H3
    • InChI Key: BDCUGHMNUOTFKX-UHFFFAOYSA-N
    • SMILES: CC1C(OC2C(O)C(OC3C(O)C(CO)(O)CO3)C(O)CO2)C(O)C(O)C(OC2C(OC(C34C(O)CC5(C(=CCC6C5(C)CCC5C6(CC(C(C5(CO)C)OC5C(O)C(O)C(O)C(CO)O5)O)C)C3CC(C)(C)CC4)C)=O)OCC(O)C2O)O1

Computed Properties

  • Exact Mass: 1208.58000
  • Monoisotopic Mass: 1208.58259765 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 16
  • Hydrogen Bond Acceptor Count: 27
  • Heavy Atom Count: 84
  • Rotatable Bond Count: 14
  • Complexity: 2370
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 32
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.5
  • Topological Polar Surface Area: 433
  • Molecular Weight: 1209.3

Experimental Properties

  • Color/Form: Powder
  • Density: 1.54±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (6.8E-3 g/L) (25 oC),
  • PSA: 433.05000
  • LogP: -4.35060

Polygalacin D Pricemore >>

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