Name: Name:Card-20(22)-enolide, 3-[(O-β-D-glucopyranosyl-(1→4)-O-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3β,5β,12β)-
Brand: Angene
SKU: AG002164
Rating: 90 (10 reviews)

Card-20(22)-enolide, 3-[(O-β-D-glucopyranosyl-(1→4)-O-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3β,5β,12β)-

CAS No.:

17575-22-3

Catalog Number:

AG002164

Molecular Formula:

C49H76O20

Molecular Weight:

985.1157

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

10mg

99%

1 week

United States

$140

- +

Product Description

Catalog Number:

AG002164

Chemical Name:

CAS Number:

17575-22-3

Molecular Formula:

C49H76O20

Molecular Weight:

985.1157

MDL Number:

MFCD00869432

IUPAC Name:

[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate

InChI:

InChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1

InChI Key:

JAYAGJDXJIDEKI-PTGWOZRBSA-N

SMILES:

OCC1OC(OC2C(C)OC(CC2OC(=O)C)OC2C(O)CC(OC2C)OC2C(O)CC(OC2C)OC2CCC3(C(C2)CCC2C3CC(O)C3(C2(O)CCC3C2=CC(=O)OC2)C)C)C(C(C1O)O)O

EC Number:

241-546-1

UNII:

5RR3JFZ771

RTECS Number:

OE2100000

Properties

Complexity:

1870

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

984.493g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

985.127g/mol

Monoisotopic Mass:

984.493g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

288A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2

Literature

Title	Journal
Cytotoxic effects of cardiac glycosides in colon cancer cells, alone and in combination with standard chemotherapeutic drugs.	Journal of natural products 20091101
Some solutions to obtain very efficient separations in isocratic and gradient modes using small particles size and ultra-high pressure.	Journal of chromatography. A 20090410
Drug therapy of paroxysmal atrial fibrillation in the elderly over 75 years old.	Chinese medical sciences journal = Chung-kuo i hsueh k'o hsueh tsa chih 20060301
[Cardiac glycosides in complex treatment of patients with heart failure and supraventricular arrhythmias].	Klinicheskaia meditsina 20050101
Three-dimensional quantitative structure-activity relationship analysis of ligand binding to human sequence antidigoxin monoclonal antibodies using comparative molecular field analysis.	Journal of medicinal chemistry 20020718

Properties