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Condurango glycoside E

CAT: 0013-GTR19217735-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217735-02Size:50 mg
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Description
Condurango glycoside E is a glycosidic compound purified from the bark of Marsdenia cundurango. This natural product is utilized in biochemical research, particularly in in vitro studies investigating its cytotoxic properties and potential mechanisms of action in oncology and pharmacology.
CAS Number
115784-07-1
Smiles
O=C (OC1C (OC (=O) C) C2C (O) (CC=C3CC (OC4OC (C) C (OC5OC (C) C (OC6OC (C) C (O) C (OC) C6O) C (OC) C5) C (OC) C4) CCC32C) C7 (O) CCC (C (=O) C) C17C) C=CC=8C=CC=CC8
Molecular Formula
C53H76O18
Molecular Weight
1001.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Condurango glycoside E
CAS Number115784-07-1
PubChem CID168679881
IUPAC Name[(3S,8S,9S,10R,11S,12S,13R,14R,17S)-17-acetyl-12-acetyloxy-3-[(2R,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14-dihydroxy-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 FormulaC53H76O18
Molecular Weight1001.2
XLogP2.9
Topological Polar Surface Area234
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count18
Rotatable Bond Count16
Heavy Atom Count71
Formal Charge0
Complexity1960
SMILES
C[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@H]2OC)O[C@@H]3[C@H](O[C@H](C[C@@H]3OC)O[C@H]4CC[C@@]5([C@H]6[C@@H]([C@H]([C@]7([C@H](CC[C@@]7([C@@]6(CC=C5C4)O)O)C(=O)C)C)OC(=O)C)OC(=O)/C=C/C8=CC=CC=C8)C)C)C)O)OC)O
InChI
InChI=1S/C53H76O18/c1-27(54)35-20-23-53(60)51(35,7)48(67-31(5)55)46(69-38(56)17-16-32-14-12-11-13-15-32)47-50(6)21-19-34(24-33(50)18-22-52(47,53)59)68-39-25-36(61-8)43(29(3)64-39)70-40-26-37(62-9)44(30(4)65-40)71-49-42(58)45(63-10)41(57)28(2)66-49/h11-18,28-30,34-37,39-49,57-60H,19-26H2,1-10H3/b17-16+/t28-,29-,30-,34+,35-,36+,37-,39+,40+,41-,42-,43-,44-,45-,46+,47-,48-,49+,50+,51-,52+,53-/m1/s1
InChIKey
ONVLVLIVBVIRGV-BMKNDRRHSA-N
Chemical Structure
2D Structure
2D structure of Condurango glycoside E
CAS: 115784-07-1
CID: 168679881
Formula: C53H76O18
MW: 1001.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1001.2
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count18
Rotatable Bond Count16
Exact Mass1000.50316557
Monoisotopic Mass1000.50316557
Topological Polar Surface Area234 Ų
Heavy Atom Count71
Formal Charge0
Complexity1960
Isotope Atom Count0
Defined Atom Stereocenter Count22
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T79991Condurango glycoside A
HY-N12239Condurango glycoside E
HY-N12236-01Condurango glycoside E3
T82689-01Condurango glycoside A0
HY-N12234-01Condurango glycoside C
HY-N12238-01Condurango glycoside E0
TRC-M239865-100MGMethoxyfenozide Glycoside
MBS5783712Purpurea glycoside A
RM-P211800-01Pueraria Glycoside
HY-N13170Glycoside H2

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