Cas no 128232-93-9 (b-D-Glucopyranoside, (3b,5a,25R)-spirostan-3-yl O-b-D-galactopyranosyl-(1®2)-O-[O-b-D-xylopyranosyl-(1®2)-O-[b-D-xylopyranosyl-(1®3)]-b-D-glucopyranosyl-(1®3)]- (9CI))

b-D-Glucopyranoside, (3b,5a,25R)-spirostan-3-yl O-b-D-galactopyranosyl-(1®2)-O-[O-b-D-xylopyranosyl-(1®2)-O-[b-D-xylopyranosyl-(1®3)]-b-D-glucopyranosyl-(1®3)]- (9CI) structure
128232-93-9 structure
Product Name:b-D-Glucopyranoside, (3b,5a,25R)-spirostan-3-yl O-b-D-galactopyranosyl-(1®2)-O-[O-b-D-xylopyranosyl-(1®2)-O-[b-D-xylopyranosyl-(1®3)]-b-D-glucopyranosyl-(1®3)]- (9CI)
CAS No:128232-93-9
MF:C55H90O26
MW:1167.28752088547
CID:201175
PubChem ID:3083096
Update Time:2025-04-19

b-D-Glucopyranoside, (3b,5a,25R)-spirostan-3-yl O-b-D-galactopyranosyl-(1®2)-O-[O-b-D-xylopyranosyl-(1®2)-O-[b-D-xylopyranosyl-(1®3)]-b-D-glucopyranosyl-(1®3)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Agaveside B
    • b-D-Glucopyranoside, (3b,5a,25R)-spirostan-3-yl O-b-D-galactopyranosyl-(1&reg
    • 3)]- (9CI)
    • 3)]-b-D-glucopyranosyl-(1&reg
    • 3beta-O-(beta-Xylopyranosyl(1-2),beta-xylopyranosyl(1-3)beta-glucopyranosyl(1-3)(beta-galactopyranosyl(1-2))-beta-glucopyranosyl)spirostane
    • beta-D-Glucopyranoside, (3beta,5alpha,25R)-spirostan-3-yl O-beta-D-galactopyranosyl-(1-2)-O-(O-beta-D-xylopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-beta-D-glucopyranosyl-(1-3))-
    • spirostan-3-yl hexopyranosyl-(1->2)-[pentopyranosyl-(1->2)-[pentopyranosyl-(1->3)]hexopyranosyl-(1->3)
    • (5α-Spirostan-3β-yl)2-O-(β-D-galactopyranosyl)-3-O-[2-O,3-O-bis(β-D-xylopyranosyl)-β-D-glucopyranosyl]-β-D-glucopyranoside
    • 128232-93-9
    • 2-[5-hydroxy-4-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • b-D-Glucopyranoside, (3b,5a,25R)-spirostan-3-yl O-b-D-galactopyranosyl-(1®2)-O-[O-b-D-xylopyranosyl-(1®2)-O-[b-D-xylopyranosyl-(1®3)]-b-D-glucopyranosyl-(1®3)]- (9CI)
    • Inchi: 1S/C55H90O26/c1-21-7-12-55(72-18-21)22(2)34-30(81-55)14-27-25-6-5-23-13-24(8-10-53(23,3)26(25)9-11-54(27,34)4)73-51-46(80-50-43(69)40(66)37(63)31(15-56)74-50)45(39(65)32(16-57)75-51)78-52-47(79-49-42(68)36(62)29(60)20-71-49)44(38(64)33(17-58)76-52)77-48-41(67)35(61)28(59)19-70-48/h21-52,56-69H,5-20H2,1-4H3
    • InChI Key: OACSKEOLIDHUQF-UHFFFAOYSA-N
    • SMILES: O1C2(CCC(C)CO2)C(C)C2C1CC1C3CCC4CC(CCC4(C)C3CCC12C)OC1C(C(C(C(CO)O1)O)OC1C(C(C(C(CO)O1)O)OC1C(C(C(CO1)O)O)O)OC1C(C(C(CO1)O)O)O)OC1C(C(C(C(CO)O1)O)O)O

Computed Properties

  • Exact Mass: 1166.5721
  • Monoisotopic Mass: 1166.572
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 14
  • Hydrogen Bond Acceptor Count: 26
  • Heavy Atom Count: 81
  • Rotatable Bond Count: 13
  • Complexity: 2100
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 35
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -1.3
  • Topological Polar Surface Area: 394A^2

Experimental Properties

  • Density: 1.52
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.642
  • PSA: 393.98

b-D-Glucopyranoside, (3b,5a,25R)-spirostan-3-yl O-b-D-galactopyranosyl-(1®2)-O-[O-b-D-xylopyranosyl-(1®2)-O-[b-D-xylopyranosyl-(1®3)]-b-D-glucopyranosyl-(1®3)]- (9CI) Related Literature

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