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Leonloside D

CAT: 1410-M31784-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M31784-02Size:5 mg
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Description
Leonloside D is a natural product.
CAS Number
20830-84-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1237.39
Molecular Formula
C59H96O27
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Leonloside D

Leonloside D has been reported in Pulsatilla cernua, Bongardia chrysogonum, and Anemone coronaria with data available.

CAS Number20830-84-6
PubChem CID21633190
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,9R,10S,12aR,14bS)-10-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular FormulaC59H96O27
Molecular Weight1237.4
XLogP-2.5
Topological Polar Surface Area433
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count27
Rotatable Bond Count15
Heavy Atom Count86
Formal Charge0
Complexity2390
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]([C@@]8(C)CO)O[C@H]9[C@@H]([C@H]([C@H](CO9)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)CO)O)O)O
InChI
InChI=1S/C59H96O27/c1-24-34(63)38(67)43(72)50(79-24)85-47-28(20-61)81-48(46(75)41(47)70)77-21-29-36(65)40(69)45(74)52(83-29)86-53(76)59-16-14-54(2,3)18-26(59)25-8-9-32-55(4)12-11-33(56(5,23-62)31(55)10-13-58(32,7)57(25,6)15-17-59)84-49-42(71)37(66)30(22-78-49)82-51-44(73)39(68)35(64)27(19-60)80-51/h8,24,26-52,60-75H,9-23H2,1-7H3/t24-,26-,27+,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-,55-,56-,57+,58+,59-/m0/s1
InChIKey
VQYKWDTZZCEBNL-HVDQNFNGSA-N
Chemical Structure
2D Structure
2D structure of Leonloside D
CAS: 20830-84-6
CID: 21633190
Formula: C59H96O27
MW: 1237.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1237.4
XLogP3-2.5
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count27
Rotatable Bond Count15
Exact Mass1236.61389778
Monoisotopic Mass1236.61389778
Topological Polar Surface Area433 Ų
Heavy Atom Count86
Formal Charge0
Complexity2390
Isotope Atom Count0
Defined Atom Stereocenter Count33
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TN1857Leonloside D

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