Cas no 116183-66-5 (Complanatuside)

Complanatuside structure
Complanatuside structure
Product Name:Complanatuside
CAS No:116183-66-5
MF:C28H32O16
MW:624.544090270996
CID:178615
Update Time:2025-04-19

Complanatuside Chemical and Physical Properties

Names and Identifiers

    • 4H-1-Benzopyran-4-one,3-(b-D-glucopyranosyloxy)-2-[4-(b-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-
    • 3-(beta-D-Glucopyranosyloxy)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
    • Glucoside-rhaMnocitrin-3,4'-O-β-D-diglucoside
    • Complanatuside A
    • 4H-1-Benzopyran-4-one,3-(b-D-glucopyranosyloxy)-2-[4-(b-D-glucopyranosyloxy)phenyl]-5-hydroxy-...
    • Complanatoside A
    • Complanatuside
    • COMPLANATUSIDE(P)
    • 5-hydroxy-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
    • Complanatoside
    • Rhamnocitrin-3,4'-O-diglucoside
    • 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-
    • 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-2-(4-(beta-D-glucopyranosyloxy)phenyl)-5-hydroxy-7-methoxy-
    • 5-hydroxy-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]o
    • s9217
    • AK119815
    • ST24046362
    • Y0049
    • 3,4'-Di(beta-D-glucopyranosyloxy)-5-hydroxy-7-methoxyflavone
    • 4-[3-(beta-D-Glucopy
    • Inchi: 1S/C28H32O16/c1-39-12-6-13(31)17-14(7-12)41-25(26(20(17)34)44-28-24(38)22(36)19(33)16(9-30)43-28)10-2-4-11(5-3-10)40-27-23(37)21(35)18(32)15(8-29)42-27/h2-7,15-16,18-19,21-24,27-33,35-38H,8-9H2,1H3/t15-,16-,18-,19-,21+,22+,23-,24-,27-,28+/m1/s1
    • InChI Key: KKPKUPKKMALLKG-QDYVESOYSA-N
    • SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC1C(C2C(=CC(=CC=2OC=1C1C=CC(=CC=1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)OC)O)=O

Computed Properties

  • Exact Mass: 624.16900
  • Monoisotopic Mass: 624.16903493 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 8
  • Complexity: 1020
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.8
  • Topological Polar Surface Area: 255
  • Molecular Weight: 624.5

Experimental Properties

  • Color/Form: Powder
  • Density: 1.73
  • Boiling Point: 975℃ at 760 mmHg
  • PSA: 258.43000
  • LogP: -2.46840

Complanatuside Security Information

  • Storage Condition:Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month

Complanatuside Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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