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Hederacolchiside A1

CAT: 0013-GTR19171228-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171228-03Size:10 mg
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Description
Hederacolchiside A1 (Raddeanoside R13) is a bioactive saponin demonstrating potent anti-leishmanial activity by disrupting parasite membrane integrity and potential. It also exhibits antiproliferative effects against cancer cell lines, including melanoma, by inducing apoptosis via modulation of the PI3K/Akt/mTOR pathway, as shown in in vitro studies.
CAS Number
106577-39-3
Product Name Alternative
ERK, Hederacolchiside A 1, Hederacolchiside A1, Hederacolchiside A-1, Mammalian target of Rapamycin, MEK, Parasite, Inhibitor, mTOR, inhibit, Akt, Apoptosis, Phosphoinositide 3-kinase, PI3K, Protein kinase B, PKB, Raddeanoside R13
Field of Research
Cell Biology, Infectious Disease & Virology, Signal Transduction
Purity
98.76% (May vary between batches)
Solubility
DMSO:83.3 mg/mL (92.85 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (3.68 mM)
Smiles
[H][C@@]1 (O[C@H]2CO[C@@] ([H]) (O[C@H]3CC[C@@]4 (C) [C@@] ([H]) (CC[C@]5 (C) [C@]4 ([H]) CC=C4[C@]6 ([H]) CC (C) (C) CC[C@@]6 (CC[C@@]54C) C (O) =O) C3 (C) C) [C@H] (O[C@]3 ([H]) O[C@@H] (C) [C@H] (O) [C@@H] (O) [C@H]3O) [C@H]2O) O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C47H76O16
Molecular Weight
897.1
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hederacolchiside A1

Hederacolchiside A1 has been reported in Serjania salzmanniana and Pulsatilla chinensis with data available.

CAS Number106577-39-3
PubChem CID11622076
IUPAC Name(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-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-carboxylic acid
Molecular FormulaC47H76O16
Molecular Weight897.1
XLogP3.3
Topological Polar Surface Area255
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count63
Formal Charge0
Complexity1720
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C47H76O16/c1-22-30(49)33(52)35(54)38(59-22)63-37-32(51)26(61-39-36(55)34(53)31(50)25(20-48)60-39)21-58-40(37)62-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25+,26-,27-,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1
InChIKey
FYSAXYBPXKLMJO-IFECXJOTSA-N
Chemical Structure
2D Structure
2D structure of Hederacolchiside A1
CAS: 106577-39-3
CID: 11622076
Formula: C47H76O16
MW: 897.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight897.1
XLogP33.3
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass896.51333633
Monoisotopic Mass896.51333633
Topological Polar Surface Area255 Ų
Heavy Atom Count63
Formal Charge0
Complexity1720
Isotope Atom Count0
Defined Atom Stereocenter Count22
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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