Evomonoside

CAT: 0926-ME16724-04Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-ME16724-04Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

508-93-0

Synonyms

(3b,5b) -3-[ (6-Deoxy-a-L-mannopyranosyl) oxy]-14-hydroxycard-20 (22) -enolide; Digitoxigenin 3-rhamnoside; Digitoxigenin rhamnoside

Smiles

C[C@H]1[C@@H] ([C@H] ([C@H] ([C@@H] (O1) O[C@H]2CC[C@]3 ([C@@H] (C2) CC[C@@H]4[C@@H]3CC[C@]5 ([C@@]4 (CC[C@@H]5C6=CC (=O) OC6) O) C) C) O) O) O

Molecular Formula

C29H44O8

Molecular Weight

520.65 g/mol

Controlled

Chemical Information

Evomonoside

Evomonoside is a cardenolide glycoside consisting of digitoxigenin having an alpha-L-rhamnosyl moiety attached at the O3-position. It is functionally related to a digitoxigenin.

CAS Number	508-93-0
PubChem CID	12308635
IUPAC Name	3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Molecular Formula	C29H44O8
Molecular Weight	520.7
XLogP	2.1
Topological Polar Surface Area	126
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	37
Formal Charge	0
Complexity	952

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O)O

InChI

InChI=1S/C29H44O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12,15,17-21,23-26,31-34H,4-11,13-14H2,1-3H3/t15-,17+,18-,19+,20-,21+,23-,24+,25+,26-,27-,28+,29-/m0/s1

InChIKey

WQMLFJWIKARBFW-BKKMTDGVSA-N

Chemical Structure

2D Structure

CAS: 508-93-0

CID: 12308635

Formula: C29H44O8

MW: 520.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	520.7
XLogP3	2.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	520.30361836
Monoisotopic Mass	520.30361836
Topological Polar Surface Area	126 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	952
Isotope Atom Count	0
Defined Atom Stereocenter Count	13
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
sc-499139	Evomonoside

Evomonoside

Chemical Information

Alternative Products

Popular Products