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Beesioside Q

CAT: 0013-GTR19166383-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166383-02Size:25 mg
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Description
Beesioside Q is a natural small molecule compound isolated from the rhizomes of Beesia calthaefolia. It is utilized in biochemical research, particularly for in vitro studies investigating its potential biological activities and mechanisms of action.
CAS Number
261767-91-3
Product Name Alternative
Triterpene, saponin, Inhibitor, Oleanolic, inhibit, Beesioside Q, acid
Purity
98.00% (May vary between batches)
Smiles
C (O[C@@H]1O[C@H] (CO[C@@H]2O[C@H] (CO) [C@@H] (O[C@H]3[C@H] (O) [C@H] (O) [C@@H] (O) [C@H] (C) O3) [C@H] (O) [C@H]2O) [C@@H] (O) [C@H] (O) [C@H]1O) (=O) [C@]45[C@] (C=6[C@@] (C) (CC4) [C@@]7 (C) [C@] (CC6) ([C@]8 (C) [C@@] (CC7) (C (C) (C) [C@@H] (O[C@H]9[C@H] (O[C@H]%10[C@H] (O) [C@H] (O[C@@H]%11O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]%11O) [C@@H] (O) [C@H] (C) O%10) [C@@H] (O) [C@@H] (O) CO9) CC8) [H]) [H]) (CC (C) (C) CC5) [H]
Molecular Formula
C65H106O30
Molecular Weight
1367.52
Storage Conditions
Keep away from moisture, keep away from direct sunlight | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Beesioside Q
CAS Number261767-91-3
PubChem CID21603407
IUPAC Name[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular FormulaC65H106O30
Molecular Weight1367.5
XLogP-2.3
Topological Polar Surface Area472
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count30
Rotatable Bond Count16
Heavy Atom Count95
Formal Charge0
Complexity2680
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H](C8(C)C)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)CO)O)O)O
InChI
InChI=1S/C65H106O30/c1-25-36(69)41(74)45(78)54(86-25)92-50-31(22-67)89-53(48(81)44(50)77)85-24-32-40(73)43(76)47(80)56(90-32)95-59(83)65-18-16-60(3,4)20-28(65)27-10-11-34-62(7)14-13-35(61(5,6)33(62)12-15-64(34,9)63(27,8)17-19-65)91-58-52(38(71)29(68)23-84-58)94-57-49(82)51(37(70)26(2)87-57)93-55-46(79)42(75)39(72)30(21-66)88-55/h10,25-26,28-58,66-82H,11-24H2,1-9H3/t25-,26-,28-,29-,30+,31+,32+,33-,34+,35-,36-,37-,38-,39+,40+,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54-,55-,56-,57-,58-,62-,63+,64+,65-/m0/s1
InChIKey
AGNAAINECZAUIZ-TZKIKZJCSA-N
Chemical Structure
2D Structure
2D structure of Beesioside Q
CAS: 261767-91-3
CID: 21603407
Formula: C65H106O30
MW: 1367.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1367.5
XLogP3-2.3
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count30
Rotatable Bond Count16
Exact Mass1366.67689196
Monoisotopic Mass1366.67689196
Topological Polar Surface Area472 Ų
Heavy Atom Count95
Formal Charge0
Complexity2680
Isotope Atom Count0
Defined Atom Stereocenter Count37
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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