Cas no 78693-93-3 ((3beta,21beta,22beta)-22-{[3-O-(beta-D-glucopyranosyl)-alpha-L-arabinopyranosyl]oxy}-21,24-dihydroxyolean-12-en-3-yl 2-O-beta-D-galactopyranosyl-beta-D-glucopyranosiduronic acid)

(3beta,21beta,22beta)-22-{[3-O-(beta-D-glucopyranosyl)-alpha-L-arabinopyranosyl]oxy}-21,24-dihydroxyolean-12-en-3-yl 2-O-beta-D-galactopyranosyl-beta-D-glucopyranosiduronic acid structure
78693-93-3 structure
Product Name:(3beta,21beta,22beta)-22-{[3-O-(beta-D-glucopyranosyl)-alpha-L-arabinopyranosyl]oxy}-21,24-dihydroxyolean-12-en-3-yl 2-O-beta-D-galactopyranosyl-beta-D-glucopyranosiduronic acid
CAS No:78693-93-3
MF:C53H86O24
MW:1107.23555994034
CID:1794590
PubChem ID:157241
Update Time:2025-04-21

(3beta,21beta,22beta)-22-{[3-O-(beta-D-glucopyranosyl)-alpha-L-arabinopyranosyl]oxy}-21,24-dihydroxyolean-12-en-3-yl 2-O-beta-D-galactopyranosyl-beta-D-glucopyranosiduronic acid Chemical and Physical Properties

Names and Identifiers

    • (3beta,21beta,22beta)-22-{[3-O-(beta-D-glucopyranosyl)-alpha-L-arabinopyranosyl]oxy}-21,24-dihydroxyolean-12-en-3-yl 2-O-beta-D-galactopyranosyl-beta-D-glucopyranosiduronic acid
    • beta-D-glucopyranosiduronic acid, (3beta,21beta,22beta)-22-[(3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy]-21,24-dihydroxyolean-12-en-3-yl 2-O-beta-D-galactopyranosyl-
    • (5xi,9xi,18alpha,21alpha,22alpha)-22-{[3-O-(alpha-D-glucopyranosyl)-alpha-L-arabinopyranosyl]oxy}-21,23-dihydroxyolean-12-en-3-yl 2-O-beta-D-galactopyranosyl-beta-D-galactopyranosiduronic acid
    • beta-D-glucopyranosiduronic acid, (3beta,21beta,22beta)-22-[(3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy]-21,24-dihydroxyolean-12-en-3-yl 2-O-beta-D-galactopyranosyl-; (5xi,9xi,18alpha,21alpha,22alpha)-22-{[3-O-(alpha-D-glucopyranosyl)-alpha-L-arabinopyranosyl]oxy}-21,23-dihydroxyolean-12-en-3-yl 2-O-beta-D-galactopyranosyl-beta-D-galactopyranosiduronic acid
    • Soyasaponin A2
    • 78693-93-3
    • CHEBI:230078
    • beta-D-Glucopyranosiduronic acid, (3beta,4beta,21beta,22beta)-22-((3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy)-21,23-dihydroxyolean-12-en-3-yl 2-O-beta-D-galactopyranosyl-
    • Inchi： 1S/C53H86O24/c1-48(2)16-22-21-8-9-27-50(4)12-11-28(73-47-40(34(63)33(62)39(75-47)43(68)69)76-46-36(65)32(61)30(59)25(18-55)72-46)51(5,20-56)26(50)10-13-53(27,7)52(21,6)15-14-49(22,3)42(41(48)67)77-44-37(66)38(23(57)19-70-44)74-45-35(64)31(60)29(58)24(17-54)71-45/h8,22-42,44-47,54-67H,9-20H2,1-7H3,(H,68,69)
    • InChI Key： QSWYVJWAKZGGIL-UHFFFAOYSA-N
    • SMILES： CC1(C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)CO2)C2(C(C3C(CC2)(C)C2(C(C4(C(CC2)C(CO)(C)C(OC2C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(C(=O)O)O2)CC4)C)CC=3)C)C1)C)C

Computed Properties

  • Exact Mass: 1106.550904
  • Monoisotopic Mass: 1106.550904
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 15
  • Hydrogen Bond Acceptor Count: 24
  • Heavy Atom Count: 77
  • Rotatable Bond Count: 12
  • Complexity: 2140
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 26
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 394
  • XLogP3: 0.924999999999998

Experimental Properties

  • Density: 1.51
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.647

(3beta,21beta,22beta)-22-{[3-O-(beta-D-glucopyranosyl)-alpha-L-arabinopyranosyl]oxy}-21,24-dihydroxyolean-12-en-3-yl 2-O-beta-D-galactopyranosyl-beta-D-glucopyranosiduronic acid Related Literature

Related Categories

78693-93-3 ((3beta,21beta,22beta)-22-{[3-O-(beta-D-glucopyranosyl)-alpha-L-arabinopyranosyl]oxy}-21,24-dihydroxyolean-12-en-3-yl 2-O-beta-D-galactopyranosyl-beta-D-glucopyranosiduronic acid) Related Products

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