Cas no 94987-10-7 (Gypenoside LI)

Gypenoside LI structure
Gypenoside LI structure
Product Name:Gypenoside LI
CAS No:94987-10-7
MF:C42H72O14
MW:801.0126953125
CID:813786
PubChem ID:76317290
Update Time:2024-10-25

Gypenoside LI Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranoside, (2a,3b,12b,20R)-2,12,20-trihydroxydammar-24-en-3-yl 2-O-b-D-glucopyranosyl-
    • (2α,3β,12β,20R)-2,12,20-Trihydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside (ACI)
    • D
    • Gypenoside LI
    • 94987-10-7
    • HY-N8207
    • beta-D-Glucopyranoside, (2alpha,3beta,12beta,20R)-2,12,20-trihydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-
    • AKOS040761812
    • E88797
    • CHEMBL3099606
    • (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,12-Dihydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • DA-73973
    • CS-0140304
    • (2S,3R,4S,5S,6R)-2-((2R,3R,4S,5S,6R)-2-(((2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,12-dihydroxy-17-((2R)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • MS-31474
    • DTXSID601317573
    • Inchi: 1S/C42H72O14/c1-20(2)10-9-13-42(8,52)21-11-14-41(7)28(21)22(45)16-27-39(5)17-23(46)35(38(3,4)26(39)12-15-40(27,41)6)56-37-34(32(50)30(48)25(19-44)54-37)55-36-33(51)31(49)29(47)24(18-43)53-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23+,24+,25+,26-,27+,28-,29+,30+,31-,32-,33+,34+,35-,36-,37-,39-,40+,41+,42+/m0/s1
    • InChI Key: LTJZMSTVPKBWKB-XUYZQZLKSA-N
    • SMILES: C[C@@]12CC[C@H]3C([C@H]([C@@H](C[C@]3(C)[C@H]1C[C@@H](O)[C@@H]1[C@H](CC[C@@]21C)[C@@](O)(C)CC/C=C(\C)/C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)(C)C

Computed Properties

  • Exact Mass: 800.49220697g/mol
  • Monoisotopic Mass: 800.49220697g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 56
  • Rotatable Bond Count: 10
  • Complexity: 1410
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 21
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 239?2

Gypenoside LI Pricemore >>

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