Gypenoside XIII

CAT: 1407-AB2742Size: 20 mgDry Ice: NoHazardous: No

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CAT#:1407-AB2742Size:20 mg

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CAS Number

80325-22-0

Purity

98% (HPLC)

Molecular Formula

C41H70O12

Molecular Weight

754.999

Chemical Information

ginsenoside Mx

Ginsenoside Mx is a ginsenoside found in Panax ginseng that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions and in which the hydroxy group at position 20 has been converted to the corresponding beta-D-xylopyranosyl-beta-D-glucopyranoside. It has a role as an antineoplastic agent and a plant metabolite. It is a 3beta-hydroxy-4,4-dimethylsteroid, a beta-D-glucoside, a tetracyclic triterpenoid, a disaccharide derivative and a ginsenoside. It is functionally related to a (20S)-protopanaxadiol. It derives from a hydride of a dammarane.

CAS Number	80325-22-0
PubChem CID	11331683
IUPAC Name	(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
Molecular Formula	C41H70O12
Molecular Weight	755.0
XLogP	3.5
Topological Polar Surface Area	199
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	9
Heavy Atom Count	53
Formal Charge	0
Complexity	1320

SMILES

CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)O)O)C

InChI

InChI=1S/C41H70O12/c1-21(2)10-9-14-41(8,53-36-34(49)32(47)31(46)25(52-36)20-51-35-33(48)30(45)24(43)19-50-35)22-11-16-40(7)29(22)23(42)18-27-38(5)15-13-28(44)37(3,4)26(38)12-17-39(27,40)6/h10,22-36,42-49H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36-,38-,39+,40+,41-/m0/s1

InChIKey

YNBYFOIDLBTOMW-IPTBNLQOSA-N

Chemical Structure

2D Structure

CAS: 80325-22-0

CID: 11331683

Formula: C41H70O12

MW: 755.0

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	755.0
XLogP3	3.5
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	9
Exact Mass	754.48672766
Monoisotopic Mass	754.48672766
Topological Polar Surface Area	199 Å²
Heavy Atom Count	53
Formal Charge	0
Complexity	1320
Isotope Atom Count	0
Defined Atom Stereocenter Count	19
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
AB2811	Gypenoside A
AB0049	Gypenoside XLVI
AB3128	Gypenoside LI
AB3127	Gypenoside L
AB0047	Gypenoside XLIX
AB0217	Gypenoside XVII
AB3091	Gypenoside LXXV

Alternative Products

Catalog	Name
380417	Gypenoside XIII
BUP16402-01	Gypenoside A
OG44044-01	Gypenoside IX
XG171342-01	Gypenoside Li
HY-N8211-01	Gypenoside L
HY-N7678-01	Gypenoside LXXV
T2S1593-01	Gypenoside XLVI
T3385-01	Gypenoside XVII
300392	Gypenoside XLIX

Gypenoside XIII

Chemical Information

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