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Urolignoside

CAT: 0926-GFA72383-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-GFA72383-02Size:5 mg
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CAS Number
131723-83-6
MDL Number
MFCD30180043
Smiles
COC1=CC (=CC2=C1OC (C2CO) C3=CC (=C (C=C3) OC4C (C (C (C (O4) CO) O) O) O) OC) CCCO
Molecular Formula
C26H34O11
Molecular Weight
522.5 g/mol
Controlled
No

Chemical Information

(7S,8R)-Urolignoside

Urolignoside has been reported in Salacia chinensis, Camellia amplexicaulis, and other organisms with data available.

CAS Number131723-83-6
PubChem CID10602086
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(2S,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
Molecular FormulaC26H34O11
Molecular Weight522.5
XLogP0.3
Topological Polar Surface Area168
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity697
SMILES
COC1=CC(=CC2=C1O[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)CCCO
InChI
InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)35-26-23(32)22(31)21(30)20(12-29)36-26)24-16(11-28)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,20+,21+,22-,23+,24+,26+/m0/s1
InChIKey
NYAPVWGUAUDHRY-KUCLMONLSA-N
Chemical Structure
2D Structure
2D structure of (7S,8R)-Urolignoside
CAS: 131723-83-6
CID: 10602086
Formula: C26H34O11
MW: 522.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.5
XLogP30.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass522.21011190
Monoisotopic Mass522.21011190
Topological Polar Surface Area168 Ų
Heavy Atom Count37
Formal Charge0
Complexity697
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19180500Urolignoside

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