Cas no 128232-92-8 (b-D-Glucopyranoside, (3b,5a,25R)-spirostan-3-yl O-b-D-xylopyranosyl-(1®3)-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-xylopyranosyl-(1®3)-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
128232-92-8 structure
Product Name:b-D-Glucopyranoside, (3b,5a,25R)-spirostan-3-yl O-b-D-xylopyranosyl-(1®3)-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:128232-92-8
MF:C60H98O30
MW:1299.40214300156
CID:171505
PubChem ID:3083095
Update Time:2025-04-19

b-D-Glucopyranoside, (3b,5a,25R)-spirostan-3-yl O-b-D-xylopyranosyl-(1®3)-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 A
    • b-D-Glucopyranoside, (3b,5a,25R)-spirostan-3-yl O-b-D-xylopyranosyl-(1&reg
    • (3beta,5alpha,25R)-Spirostan-3-yl O-beta-D-xylopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-2)-O-(O-beta-D-xylopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-beta-D-glucopyranosyl-(1-3))-beta-D-Glucopyranoside
    • 3)]- (9CI)
    • 3)]-b-D-glucopyranosyl-(1&re
    • 3)]-b-D-glucopyranosyl-(1&reg
    • 3)-O-b-D-galactopyranosyl-(1&reg
    • 3-beta-O-(beta-Xylopyranosyl)(1-2),beta-xylopyranosyl(1-3),beta-(glucopyranosyl(1-3)(beta-xylopyranosyl(1-3)beta-galactopyranosyl(1-2))-beta-glucopyranosyl)spirostane
    • beta-D-Glucopyranoside, (3beta,5alpha,25R)-spiro
    • (5α-Spirostan-3β-yl)2-O-(3-O-β-D-xylopyranosyl-β-D-galactopyranosyl)-3-O-[2-O,3-O-bis(β-D-xylopyranosyl)-β-D-glucopyranosyl]-β-D-glucopyranoside
    • 128232-92-8
    • 2-[4,5-Dihydroxy-6-[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-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
    • beta-D-Glucopyranoside, (3beta,5alpha,25R)-spirostan-3-yl O-beta-D-xylopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-2)-O-(O-beta-D-xylopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-beta-D-glucopyranosyl-(1-3))-
    • b-D-Glucopyranoside, (3b,5a,25R)-spirostan-3-yl O-b-D-xylopyranosyl-(1®3)-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/C60H98O30/c1-22-7-12-60(80-18-22)23(2)36-32(90-60)14-28-26-6-5-24-13-25(8-10-58(24,3)27(26)9-11-59(28,36)4)81-56-50(89-55-46(76)42(72)47(35(17-63)84-55)85-52-43(73)37(67)29(64)19-77-52)49(41(71)33(15-61)82-56)87-57-51(88-54-45(75)39(69)31(66)21-79-54)48(40(70)34(16-62)83-57)86-53-44(74)38(68)30(65)20-78-53/h22-57,61-76H,5-21H2,1-4H3
    • InChI Key： HZGNQHFLYATDIS-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)OC1C(C(C(CO1)O)O)O)O)O

Computed Properties

  • Exact Mass: 1298.61434
  • Monoisotopic Mass: 1298.614292
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 16
  • Hydrogen Bond Acceptor Count: 30
  • Heavy Atom Count: 90
  • Rotatable Bond Count: 15
  • Complexity: 2370
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 39
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -3.4
  • Topological Polar Surface Area: 453

Experimental Properties

  • Density: 1.56
  • Refractive Index: 1.649
  • PSA: 452.9

b-D-Glucopyranoside, (3b,5a,25R)-spirostan-3-yl O-b-D-xylopyranosyl-(1®3)-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

Related Categories

128232-92-8 (b-D-Glucopyranoside, (3b,5a,25R)-spirostan-3-yl O-b-D-xylopyranosyl-(1®3)-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 Products

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