Products for Research Use Only
RegisterLogin

Picroside I

CAT: 0926-MP10467-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-MP10467-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
27409-30-9
MDL Number
MFCD00017720
Smiles
C1=CC=C (C=C1) /C=C/C (=O) OC[C@@H]2[C@H] ([C@@H] ([C@H] ([C@@H] (O2) O[C@H]3[C@H]4[C@@H] (C=CO3) [C@@H] ([C@H]5[C@@]4 (O5) CO) O) O) O) O
Molecular Formula
C24H28O11
Molecular Weight
492.48 g/mol
Controlled
No

Chemical Information

Picroside I

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}oxan-2-yl]methyl (2E)-3-phenylprop-2-enoate has been reported in Gentiana kurroo and Picrorhiza kurrooa with data available.

CAS Number27409-30-9
PubChem CID6440892
IUPAC Name[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl (E)-3-phenylprop-2-enoate
Molecular FormulaC24H28O11
Molecular Weight492.5
XLogP-1.1
Topological Polar Surface Area168
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity826
SMILES
C1=CC=C(C=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4[C@@H](C=CO3)[C@@H]([C@H]5[C@@]4(O5)CO)O)O)O)O
InChI
InChI=1S/C24H28O11/c25-11-24-16-13(17(27)21(24)35-24)8-9-31-22(16)34-23-20(30)19(29)18(28)14(33-23)10-32-15(26)7-6-12-4-2-1-3-5-12/h1-9,13-14,16-23,25,27-30H,10-11H2/b7-6+/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24-/m1/s1
InChIKey
XZGPUOQGERGURE-LUVHZPKESA-N
Chemical Structure
2D Structure
2D structure of Picroside I
CAS: 27409-30-9
CID: 6440892
Formula: C24H28O11
MW: 492.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.5
XLogP3-1.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass492.16316171
Monoisotopic Mass492.16316171
Topological Polar Surface Area168 Ų
Heavy Atom Count35
Formal Charge0
Complexity826
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
LIA56704-01Picroside IV
VAC-00228-01Scyliorhinin I, Scy I
BL10671_RRecombinant Human Apolipoprotein A-I (ApoA-I)
TAA74971-01Sitoindoside I
SEA27874-01Tangshenoside I
RDA92576-01Cannabistilbene I
PP51173Huwentoxin-I
PP51162BDS-I
PDN-4330-SDendrotoxin I
OG10450Gypenoside I

Alternative Products

CatalogName
TB0157Picroside Ⅲ
HY-N0407-01Picroside I
AB1308Picroside IV
MBS3608943-01Picroside III
MBS576943Picroside II
GC2669-25mgPicroside 2

Popular Products