Gypenoside XLVI

CAT: 0931-T2S1593-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T2S1593-01Size:1 mg

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

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CAS Number

94705-70-1

Target

Others

Related Pathways

Others

Purity

0.9859

Bioactivity

Gypenoside XLVI shows strong cytotoxic activity against A549 cells, with the IC50 values of 52.63±8.31 ug/ml.

Smiles

CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CC(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C

Molecular Formula

C48H82O19

Molecular Weight

963.15

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Gypenoside Xlvi

Gypenoside XLVI has been reported in Gynostemma pentaphyllum and Gynostemma with data available.

CAS Number	94705-70-1
PubChem CID	76320987
IUPAC Name	(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula	C48H82O19
Molecular Weight	963.2
XLogP	1.4
Topological Polar Surface Area	318
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	13
Heavy Atom Count	67
Formal Charge	0
Complexity	1720

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(C[C@H]([C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C

InChI

InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-42-38(61)35(58)32(55)26(19-50)63-42)22-11-14-47(7)30(22)23(52)16-29-45(5)17-24(53)40(44(3,4)28(45)12-15-46(29,47)6)66-43-39(36(59)33(56)27(20-51)64-43)65-41-37(60)34(57)31(54)25(18-49)62-41/h10,22-43,49-61H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26+,27+,28-,29+,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-,43-,45-,46+,47+,48-/m0/s1

InChIKey

VENRSYBHHVDBDC-YETCIKTFSA-N

Chemical Structure

2D Structure

CAS: 94705-70-1

CID: 76320987

Formula: C48H82O19

MW: 963.2

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	963.2
XLogP3	1.4
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	13
Exact Mass	962.54503038
Monoisotopic Mass	962.54503038
Topological Polar Surface Area	318 Å²
Heavy Atom Count	67
Formal Charge	0
Complexity	1720
Isotope Atom Count	0
Defined Atom Stereocenter Count	26
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TWS0902-01	Gypenoside A
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T126473-01	Gypenoside LVII
T125608-01	Gypenoside GD5
TN4177-01	Gypenoside LI
TN8562-01	Gypenoside UL5
T126173-01	Gypenoside VN3
T13717-01	Gypenoside XIII
TN8665-01	Gypenoside XCI

Alternative Products

Catalog	Name
AB0049	Gypenoside XLVI
BUP16402-01	Gypenoside A
OG44044-01	Gypenoside IX

Gypenoside XLVI

Chemical Information

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