Tenacigenoside A

CAT: 0013-GTR19229564-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19229564-01Size:1 mg

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Description

Tenacigenoside A is a bioactive small molecule used in life science research. Studies indicate its application in both in vitro and in vivo experimental models for investigating biological pathways and potential pharmacological activities.

CAS Number

920502-42-7

Smiles

C[C@@]12[C@@]3 ([C@@]4 (O3) [C@@] ([C@]5 (C) [C@@] (CC4) (C[C@@H] (O[C@H]6C[C@@H] (OC) [C@H] (O[C@H]7[C@H] (O) [C@H] (OC) [C@H] (O) [C@@H] (C) O7) [C@@H] (C) O6) CC5) [H]) ([C@H] (O) [C@H]1O) [H]) CC[C@@H]2C (C) =O

Molecular Formula

C35H56O12

Molecular Weight

668.81

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

CID 91885077

CAS Number	920502-42-7
PubChem CID	91885077
IUPAC Name	1-[(3R,6S,7S,8S,9S,10S,11S,14S,16S)-14-[(2S,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]ethanone
Molecular Formula	C35H56O12
Molecular Weight	668.8
XLogP	0.7
Topological Polar Surface Area	166
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Heavy Atom Count	47
Formal Charge	0
Complexity	1200

SMILES

C[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H](C[C@H]2OC)O[C@H]3CC[C@]4([C@H](C3)CCC56[C@@H]4[C@@H]([C@H]([C@]7([C@]5(O6)CC[C@@H]7C(=O)C)C)O)O)C)C)O)OC)O

InChI

InChI=1S/C35H56O12/c1-16(36)21-10-13-35-33(21,5)30(40)26(39)29-32(4)11-9-20(14-19(32)8-12-34(29,35)47-35)45-23-15-22(41-6)27(18(3)43-23)46-31-25(38)28(42-7)24(37)17(2)44-31/h17-31,37-40H,8-15H2,1-7H3/t17-,18-,19+,20+,21-,22-,23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34?,35-/m1/s1

InChIKey

WGOHWIVFCMYBJP-ZMFWOZTBSA-N

Chemical Structure

2D Structure

CAS: 920502-42-7

CID: 91885077

Formula: C35H56O12

MW: 668.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	668.8
XLogP3	0.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Exact Mass	668.37717722
Monoisotopic Mass	668.37717722
Topological Polar Surface Area	166 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1200
Isotope Atom Count	0
Defined Atom Stereocenter Count	18
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5801732	Tenacigenoside A

Tenacigenoside A

Chemical Information

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