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Sennoside D

CAT: 0931-T2S0968-06Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T2S0968-06Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
37271-17-3
Target
Others
Related Pathways
Others
Purity
0.9944
Bioactivity
Sennoside D is an anthraquinone glycoside extracted from leaves and pods of Cassia angustifolia.
Smiles
[H][C@@]1(c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(CO)cc12)[C@]1([H])c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O
Molecular Formula
C42H40O19
Molecular Weight
848.76
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sennoside D

Sennoside D is a member of sennosides.

CAS Number37271-17-3
PubChem CID46173830
IUPAC Name(9R)-4-hydroxy-9-[(9S)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
Molecular FormulaC42H40O19
Molecular Weight848.8
XLogP0.8
Topological Polar Surface Area331
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count19
Rotatable Bond Count9
Heavy Atom Count61
Formal Charge0
Complexity1580
SMILES
C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@H]2[C@@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)CO
InChI
InChI=1S/C42H40O19/c43-11-14-7-18-26(16-3-1-5-22(30(16)34(50)28(18)20(46)8-14)58-41-38(54)36(52)32(48)24(12-44)60-41)27-17-4-2-6-23(59-42-39(55)37(53)33(49)25(13-45)61-42)31(17)35(51)29-19(27)9-15(40(56)57)10-21(29)47/h1-10,24-27,32-33,36-39,41-49,52-55H,11-13H2,(H,56,57)/t24-,25-,26+,27-,32-,33-,36+,37+,38-,39-,41-,42-/m1/s1
InChIKey
ZFWOUNNKSHIAFK-MIIKWYNKSA-N
Chemical Structure
2D Structure
2D structure of Sennoside D
CAS: 37271-17-3
CID: 46173830
Formula: C42H40O19
MW: 848.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight848.8
XLogP30.8
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count19
Rotatable Bond Count9
Exact Mass848.21637904
Monoisotopic Mass848.21637904
Topological Polar Surface Area331 Ų
Heavy Atom Count61
Formal Charge0
Complexity1580
Isotope Atom Count0
Defined Atom Stereocenter Count12
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
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HY-N12281-01Sennoside

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