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Mogroside II A2 10mg

CAT: 0628-A12166-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A12166-10Size:10 mg
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CAS Number
88901-45-5

Chemical Information

Mogroside II-A2

Mogroside II-A2 is a 3-hydroxy steroid, a steroid saponin and a disaccharide derivative.

CAS Number88901-45-5
PubChem CID102594495
IUPAC Name(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R)-6-[[(3S,9R,11R,13R,14S)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC42H72O14
Molecular Weight801.0
XLogP1.7
Topological Polar Surface Area239
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Heavy Atom Count56
Formal Charge0
Complexity1410
SMILES
C[C@H](CC[C@H](C(C)(C)O)O)C1CC[C@@]2([C@@]1(C[C@H]([C@@]3(C2CC=C4C3CC[C@@H](C4(C)C)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)C)O)C)C
InChI
InChI=1S/C42H72O14/c1-20(9-13-27(44)39(4,5)52)21-15-16-40(6)26-12-10-22-23(42(26,8)28(45)17-41(21,40)7)11-14-29(38(22,2)3)56-37-35(51)33(49)31(47)25(55-37)19-53-36-34(50)32(48)30(46)24(18-43)54-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20-,21?,23?,24-,25-,26?,27-,28-,29+,30-,31-,32+,33+,34-,35-,36-,37?,40+,41-,42+/m1/s1
InChIKey
SLAWMGMTBGDBFT-UMIXZHIDSA-N
Chemical Structure
2D Structure
2D structure of Mogroside II-A2
CAS: 88901-45-5
CID: 102594495
Formula: C42H72O14
MW: 801.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight801.0
XLogP31.7
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Exact Mass800.49220697
Monoisotopic Mass800.49220697
Topological Polar Surface Area239 Ų
Heavy Atom Count56
Formal Charge0
Complexity1410
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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