Platycoside F

CAT: 1410-M38993Size: 1 EachDry Ice: NoHazardous: No

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Description

Platycoside F is a triterpenoid saponin compound that can be isolated from the roots ofPlatycodon grandiflorum .

CAS Number

314756-03-1

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

961.11

Molecular Formula

C47H76O20

Notes

Research use only, not for human use.

Receptor

Other Targets

Chemical Information

Platycoside F

Platycoside F has been reported in Platycodon grandiflorus with data available.

CAS Number	314756-03-1
PubChem CID	101048500
IUPAC Name	[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular Formula	C47H76O20
Molecular Weight	961.1
XLogP	-1
Topological Polar Surface Area	335
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	10
Heavy Atom Count	67
Formal Charge	0
Complexity	1830

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@H]6[C@]([C@@]5(C[C@H]4O)C)(CC[C@@H]7[C@@]6(C[C@@H]([C@@H](C7(CO)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)O

InChI

InChI=1S/C47H76O20/c1-20-29(54)32(57)34(59)38(63-20)65-36-30(55)24(52)17-62-40(36)67-41(61)47-12-11-42(2,3)13-22(47)21-7-8-26-43(4)14-23(51)37(66-39-35(60)33(58)31(56)25(16-48)64-39)46(18-49,19-50)27(43)9-10-44(26,5)45(21,6)15-28(47)53/h7,20,22-40,48-60H,8-19H2,1-6H3/t20-,22-,23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34+,35+,36+,37-,38-,39-,40-,43+,44+,45+,47+/m0/s1

InChIKey

QIMBOUOMXGXUQK-HQQCROKPSA-N

Chemical Structure

2D Structure

CAS: 314756-03-1

CID: 101048500

Formula: C47H76O20

MW: 961.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	961.1
XLogP3	-1
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	10
Exact Mass	960.49299481
Monoisotopic Mass	960.49299481
Topological Polar Surface Area	335 Å²
Heavy Atom Count	67
Formal Charge	0
Complexity	1830
Isotope Atom Count	0
Defined Atom Stereocenter Count	24
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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TN4804-01	Platycoside A
ZIB75842-01	Platycoside G1
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T12500-01	Platycoside E
582881	Platycoside M3
MBS5801887	Platycoside G3
SLB48267-01	Platycoside M1
MBS5787300	Platycoside K

Platycoside F

Chemical Information

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