Siamenoside I

CAT: 0931-TN2208-05Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-TN2208-05Size:25 mg

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CAS Number

126105-12-2

Target

LDL

Related Pathways

Metabolism

Purity

0.9981

Bioactivity

Siamenoside I is a natural product, and is one of the mogrosides that has several kinds of bioactivities, it exhibits maltase inhibitory effect with the IC50 value of 12 mM.

Smiles

C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C

Molecular Formula

C54H92O24

Molecular Weight

1125.29

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Siamenoside I

Siamenoside I is a cucurbitacin and a glycoside.

CAS Number	126105-12-2
PubChem CID	71307460
IUPAC Name	(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[(3R,6R)-2-hydroxy-6-[(3S,8S,9R,10R,11R,13R,14S,17R)-11-hydroxy-4,4,9,13,14-pentamethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula	C54H92O24
Molecular Weight	1125.3
XLogP	-1.5
Topological Polar Surface Area	398
Hydrogen Bond Donor Count	16
Hydrogen Bond Acceptor Count	24
Rotatable Bond Count	17
Heavy Atom Count	78
Formal Charge	0
Complexity	2030

SMILES

C[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[C@H]4CC[C@@]5([C@@]4(C[C@H]([C@@]6([C@H]5CC=C7[C@H]6CC[C@@H](C7(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)O)C)C

InChI

InChI=1S/C54H92O24/c1-22(23-15-16-52(6)30-12-10-24-25(54(30,8)31(58)17-53(23,52)7)11-14-32(50(24,2)3)76-47-43(68)39(64)35(60)27(19-56)73-47)9-13-33(51(4,5)70)77-49-45(78-48-44(69)40(65)36(61)28(20-57)74-48)41(66)37(62)29(75-49)21-71-46-42(67)38(63)34(59)26(18-55)72-46/h10,22-23,25-49,55-70H,9,11-21H2,1-8H3/t22-,23-,25-,26-,27-,28-,29-,30+,31-,32+,33-,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47+,48+,49+,52+,53-,54+/m1/s1

InChIKey

XJIPREFALCDWRQ-UYQGGQRHSA-N

Chemical Structure

2D Structure

CAS: 126105-12-2

CID: 71307460

Formula: C54H92O24

MW: 1125.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1125.3
XLogP3	-1.5
Hydrogen Bond Donor Count	16
Hydrogen Bond Acceptor Count	24
Rotatable Bond Count	17
Exact Mass	1124.59785380
Monoisotopic Mass	1124.59785380
Topological Polar Surface Area	398 Å²
Heavy Atom Count	78
Formal Charge	0
Complexity	2030
Isotope Atom Count	0
Defined Atom Stereocenter Count	30
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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Alternative Products

Catalog	Name
TB0713	Siamenoside I
GTR19242988-01	11-O-Siamenoside I
HY-N0612R	Siamenoside I (Standard)

Siamenoside I

Chemical Information

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