Complanatoside A

CAT: 0931-T3922-01Size: 500 µgDry Ice: NoHazardous: No

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CAT#:0931-T3922-01Size:500 µg

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CAS Number

146501-37-3

Target

Others

Related Pathways

Others

Bioactivity

Complanatoside A (a flavonol glycoside) is isolated from Astragalus complanatus.

Smiles

OC[C@H]1O[C@@H](Oc2c(O)cc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

Molecular Formula

C27H30O18

Molecular Weight

642.5

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Complanatoside A

2-(3,5-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one has been reported in Picea abies with data available.

CAS Number	146501-37-3
PubChem CID	101682254
IUPAC Name	2-[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Formula	C27H30O18
Molecular Weight	642.5
XLogP	-1.8
Topological Polar Surface Area	306
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	7
Heavy Atom Count	45
Formal Charge	0
Complexity	1060

SMILES

C1=C(C=C(C(=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

InChI

InChI=1S/C27H30O18/c28-5-13-16(34)19(37)21(39)26(42-13)44-24-10(32)1-7(2-11(24)33)23-25(18(36)15-9(31)3-8(30)4-12(15)41-23)45-27-22(40)20(38)17(35)14(6-29)43-27/h1-4,13-14,16-17,19-22,26-35,37-40H,5-6H2/t13-,14-,16-,17-,19+,20+,21-,22-,26+,27+/m1/s1

InChIKey

LLVOJEYSNCNXJN-XUAXIHHBSA-N

Chemical Structure

2D Structure

CAS: 146501-37-3

CID: 101682254

Formula: C27H30O18

MW: 642.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	642.5
XLogP3	-1.8
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	7
Exact Mass	642.14321410
Monoisotopic Mass	642.14321410
Topological Polar Surface Area	306 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1060
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
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
T4130-01	Complanatuside
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N2403-20	Complanatoside
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AB2003	Complanatoside B
MBS5788578	Complanatoside C
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Complanatoside A

Chemical Information

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