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Condurango glycoside E0

CAT: 0013-GTR19217746-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217746-02Size:50 mg
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Description
Condurango glycoside E0 is a natural glycoside compound derived from Marsdenia cundurango. It is studied in vitro for its potential anticancer properties, particularly in research focused on apoptosis and cell proliferation mechanisms.
CAS Number
115784-08-2
Smiles
O=C (OC1C (OC (=O) C) C2C (O) (CC=C3CC (OC4OC (C) C (OC5OC (C) C (OC6OC (C) C (OC7OC (CO) C (O) C (O) C7O) C (OC) C6O) C (OC) C5) C (OC) C4) CCC32C) C8 (O) CCC (C (=O) C) C18C) C=CC=9C=CC=CC9
Molecular Formula
C59H86O23
Molecular Weight
1163.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Condurango glycoside E0
CAS Number115784-08-2
PubChem CID168679880
IUPAC Name[(3S,8S,9S,10R,11S,12S,13R,14R,17S)-17-acetyl-12-acetyloxy-8,14-dihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl] (E)-3-phenylprop-2-enoate
Molecular FormulaC59H86O23
Molecular Weight1163.3
XLogP1.3
Topological Polar Surface Area313
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count23
Rotatable Bond Count19
Heavy Atom Count82
Formal Charge0
Complexity2280
SMILES
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4[C@@H]([C@H]([C@]5([C@H](CC[C@@]5([C@@]4(CC=C3C2)O)O)C(=O)C)C)OC(=O)C)OC(=O)/C=C/C6=CC=CC=C6)C)OC)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O[C@H]8[C@@H]([C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC)O)OC
InChI
InChI=1S/C59H86O23/c1-28(61)36-20-23-59(69)57(36,7)53(76-32(5)62)51(79-40(63)17-16-33-14-12-11-13-15-33)52-56(6)21-19-35(24-34(56)18-22-58(52,59)68)77-41-25-37(70-8)47(29(2)73-41)80-42-26-38(71-9)48(30(3)74-42)81-55-46(67)50(72-10)49(31(4)75-55)82-54-45(66)44(65)43(64)39(27-60)78-54/h11-18,29-31,35-39,41-55,60,64-69H,19-27H2,1-10H3/b17-16+/t29-,30-,31-,35+,36-,37+,38-,39-,41+,42+,43-,44+,45-,46-,47-,48-,49-,50+,51+,52-,53-,54+,55+,56+,57-,58+,59-/m1/s1
InChIKey
XNQFXLGYRMHPNA-FZFXVWQOSA-N
Chemical Structure
2D Structure
2D structure of Condurango glycoside E0
CAS: 115784-08-2
CID: 168679880
Formula: C59H86O23
MW: 1163.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1163.3
XLogP31.3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count23
Rotatable Bond Count19
Exact Mass1162.55598899
Monoisotopic Mass1162.55598899
Topological Polar Surface Area313 Ų
Heavy Atom Count82
Formal Charge0
Complexity2280
Isotope Atom Count0
Defined Atom Stereocenter Count27
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-N12233-01Condurango glycoside A
HY-N12234-01Condurango glycoside C
HY-N12237-01Condurango glycoside A0
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HY-N12236-01Condurango glycoside E3
HY-N12238-01Condurango glycoside E0
TRC-M239865-100MGMethoxyfenozide Glycoside
MBS5783712Purpurea glycoside A
RM-P211800-01Pueraria Glycoside
HY-N13170Glycoside H2

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