Sericoside

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CAS Number

55306-04-2

Purity

=98%

Smiles

C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]23[C@](C=4[C@@](C)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)([C@](CO)(C)[C@@H](O)[C@H](O)C6)[H])[H])([C@H](O)C(C)(C)CC3)[H]

Chemical Information

Sericoside

sericoside has been reported in Adinandra nitida, Rubus ellipticus var. obcordatus, and other organisms with data available.

CAS Number	55306-04-2
PubChem CID	76972524
IUPAC Name	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular Formula	C36H58O11
Molecular Weight	666.8
XLogP	2.7
Topological Polar Surface Area	197
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Heavy Atom Count	47
Formal Charge	0
Complexity	1270

SMILES

C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4[C@@H](C(CC5)(C)C)O)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C[C@H]([C@@H]([C@]3(C)CO)O)O)C

InChI

InChI=1S/C36H58O11/c1-31(2)11-13-36(30(45)47-29-26(42)25(41)24(40)20(16-37)46-29)14-12-34(5)18(23(36)28(31)44)7-8-22-32(3)15-19(39)27(43)33(4,17-38)21(32)9-10-35(22,34)6/h7,19-29,37-44H,8-17H2,1-6H3/t19-,20-,21-,22-,23-,24-,25+,26-,27+,28+,29+,32+,33-,34-,35-,36+/m1/s1

InChIKey

CMZFNIMQBCBHEX-JRIAKSEUSA-N

Chemical Structure

2D Structure

CAS: 55306-04-2

CID: 76972524

Formula: C36H58O11

MW: 666.8

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	666.8
XLogP3	2.7
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Exact Mass	666.39791266
Monoisotopic Mass	666.39791266
Topological Polar Surface Area	197 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1270
Isotope Atom Count	0
Defined Atom Stereocenter Count	16
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
M33064-01	Sericoside

Sericoside

Chemical Information

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