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Sapogenins Glycosides

CAT: 1568-C16796-01Size: 50 mgDry Ice: YesHazardous: No
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CAT#:1568-C16796-01Size:50 mg
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CAS Number
8047-15-2
Synonyms
Saponins
SKU
C16796-50mg
Target
Others
Applications
Others
Smiles
CC1 (C2CCC3 (C (C2 (CCC1OC4C (C (C (CO4) OC5C (C (C (CO5) O) O) O) OC6C (C (C (C (O6) CO) O) O) O) OC7C (C (C (C (O7) CO) O) O) OC8C (C (C (C (O8) CO) O) O) O) C) CCC91C3 (CC (C2 (C9CC (CC2) (C) C=O) CO1) O) C) C) C
Additionnal Information
Sapogenins glycosides (Saponins) are a mixture of triterpene and steroid saponins isolated from medicinal plants such as Aesculus hippocastanum L., Hedera helix L. and Ruscus aculeatus L., which are claimed to be effective for the treatment/prevention of venous insufficiency.
Storage Conditions
2 years -80 in solvent

Chemical Information

Saponins

Saponins has been reported in Aesculus hippocastanum and Bobgunnia madagascariensis with data available.

CAS Number8047-15-2
PubChem CID6540709
IUPAC Name(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
Molecular FormulaC55H86O24
Molecular Weight1131.3
XLogP0.7
Topological Polar Surface Area388
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count24
Rotatable Bond Count16
Heavy Atom Count79
Formal Charge0
Complexity2300
SMILES
C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C2CC1(C)C)C)O)CO)OC(=O)C
InChI
InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10-/t26?,27-,28-,29?,30?,31-,32+,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43+,44+,47+,48+,49-,51+,52-,53-,54-,55+/m1/s1
InChIKey
AXNVHPCVMSNXNP-ZELRDNAQSA-N
Chemical Structure
2D Structure
2D structure of Saponins
CAS: 8047-15-2
CID: 6540709
Formula: C55H86O24
MW: 1131.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1131.3
XLogP30.7
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count24
Rotatable Bond Count16
Exact Mass1130.55090361
Monoisotopic Mass1130.55090361
Topological Polar Surface Area388 Ų
Heavy Atom Count79
Formal Charge0
Complexity2300
Isotope Atom Count0
Defined Atom Stereocenter Count24
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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