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Potentillanoside A

CAT: 0931-T81418-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T81418-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1309589-79-4
Bioactivity
Potentillanoside A is a natural hepatoprotective compound [1].
Smiles
C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]23[C@](C=4[C@@](C)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)(C(C)(C)C(=O)[C@H](O)C6)[H])[H])([C@](C)(O)[C@H](C)CC3)[H]
Molecular Formula
C36H56O10
Molecular Weight
648.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Potentillanoside A
CAS Number1309589-79-4
PubChem CID102295788
IUPAC Name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,11R,12aR,14bS)-1,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-2H-picene-4a-carboxylate
Molecular FormulaC36H56O10
Molecular Weight648.8
XLogP3.3
Topological Polar Surface Area174
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count46
Formal Charge0
Complexity1300
SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H](C(=O)C5(C)C)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI
InChI=1S/C36H56O10/c1-18-10-13-36(30(43)46-29-26(41)25(40)24(39)21(17-37)45-29)15-14-33(5)19(27(36)35(18,7)44)8-9-23-32(4)16-20(38)28(42)31(2,3)22(32)11-12-34(23,33)6/h8,18,20-27,29,37-41,44H,9-17H2,1-7H3/t18-,20-,21-,22+,23-,24-,25+,26-,27-,29+,32+,33-,34-,35-,36+/m1/s1
InChIKey
PTHJWWHWYWHNNN-AOUBIGNISA-N
Chemical Structure
2D Structure
2D structure of Potentillanoside A
CAS: 1309589-79-4
CID: 102295788
Formula: C36H56O10
MW: 648.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight648.8
XLogP33.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass648.38734798
Monoisotopic Mass648.38734798
Topological Polar Surface Area174 Ų
Heavy Atom Count46
Formal Charge0
Complexity1300
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M38113Potentillanoside A

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