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Pulsatilloside E

CAT: 0931-TN2117-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-TN2117-04Size:25 mg
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CAS Number
366814-43-9
Target
Others
Related Pathways
Others
Purity
0.9995
Bioactivity
Pulsatilloside E (Pulchinenoside E) is a natural product isolated from the roots of Pulsatilla chinensis (Ranunculaceae) .
Smiles
C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]45[C@@]([C@@]6([C@@](C)(CC4)[C@@]7(C)[C@](CC6)([C@]8(C)[C@@](CC7)([C@@](CO)(C)[C@@H](O[C@H]9[C@H](O[C@H]%10[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O%10)[C@@H](O)[C@@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)CO9)CC8)[H])[H])[H])([C@H](C(C)=C)CC5)[H]
Molecular Formula
C65H106O31
Molecular Weight
1383.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pulsatilloside E

Chinensioside B has been reported in Pulsatilla chinensis with data available.

CAS Number366814-43-9
PubChem CID10909416
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] (1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-8-(hydroxymethyl)-9-[(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-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
Molecular FormulaC65H106O31
Molecular Weight1383.5
XLogP-2.8
Topological Polar Surface Area492
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count31
Rotatable Bond Count18
Heavy Atom Count96
Formal Charge0
Complexity2670
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@H]([C@@H]4[C@H]6CC[C@@H]7[C@]8(CC[C@@H]([C@@]([C@@H]8CC[C@]7([C@@]6(CC5)C)C)(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@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)C)C(=C)C)O)O)O)CO)O)O)O
InChI
InChI=1S/C65H106O31/c1-24(2)27-11-16-65(60(84)96-58-50(82)45(77)40(72)31(91-58)21-85-54-51(83)46(78)52(30(20-67)90-54)94-55-47(79)42(74)37(69)25(3)87-55)18-17-63(7)28(36(27)65)9-10-34-61(5)14-13-35(62(6,23-68)33(61)12-15-64(34,63)8)93-59-53(95-56-48(80)43(75)38(70)26(4)88-56)41(73)32(22-86-59)92-57-49(81)44(76)39(71)29(19-66)89-57/h25-59,66-83H,1,9-23H2,2-8H3/t25-,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+,53+,54+,55-,56-,57-,58-,59-,61-,62-,63+,64+,65-/m0/s1
InChIKey
WKNXZHOQPHRDKT-RUGHYGOFSA-N
Chemical Structure
2D Structure
2D structure of Pulsatilloside E
CAS: 366814-43-9
CID: 10909416
Formula: C65H106O31
MW: 1383.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1383.5
XLogP3-2.8
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count31
Rotatable Bond Count18
Exact Mass1382.6718066
Monoisotopic Mass1382.6718066
Topological Polar Surface Area492 Ų
Heavy Atom Count96
Formal Charge0
Complexity2670
Isotope Atom Count0
Defined Atom Stereocenter Count40
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-125702-01Pulsatilloside E
MBS5799638Pulsatilloside C
GTR19269553Pulchinenoside E (Pulsatilloside E)

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