Product Name: beta-D-Glucopyranoside,3-hydroxy-5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenyl (CAS NO.155-58-8)

Molecular Formula: C₂₁H₂₄O₉
Molecular Weight: 420.41g/mol
Mol File: 155-58-8.mol
EINECS: 205-845-0
Appearance: light beige powder
Melting Point: 236-240 °C
Index of Refraction: 1.711 
Molar Refractivity: 109.79 cm3 
Molar Volume: 280.5 cm³  
Surface Tension: 72.4 dyne/cm 
Density: 1.498 g/cm³ 
Flash Point: 406.9 °C 
Enthalpy of Vaporization: 114.61 kJ/mol 
Boiling Point: 749.3 °C at 760 mmHg 
Vapour Pressure: 1.39E-23 mmHg at 25°C
XLogP3-AA: 0.5
H-Bond Donor: 6
H-Bond Acceptor: 9
Structure Descriptors of beta-D-Glucopyranoside,3-hydroxy-5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenyl (CAS NO.155-58-8):
  IUPAC Name: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  Canonical SMILES: COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O
  Isomeric SMILES: COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
  InChI: InChI=1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1 
  InChIKey: GKAJCVFOJGXVIA-DXKBKAGUSA-N
Product Categories: Miscellaneous Natural Products; Cardioglycosides & Glycosides

Safety Information of beta-D-Glucopyranoside,3-hydroxy-5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenyl (CAS NO.155-58-8):
Hazard Codes: Xi
Risk Statements: 36/38 
R36/38:Irritating to eyes and skin.
Safety Statements: 24/25-37/39-26 
S24/25:Avoid contact with skin and eyes. 
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3

 beta-D-Glucopyranoside,3-hydroxy-5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenyl , its CAS NO. is 155-58-8, the synonyms are Glucopyranoside, rhapontigenin-3, beta-D- ; Ponticin ; Rhaponticine ; Rhapontigenin, 3-beta-D-glucopyranoside ; 3-Hydroxy-5-(2-(3-hydroxy-4-methoxyphenyl)ethenyl)phenyl-beta-D-glucopyranoside ; beta-D-Glucopyranoside, 3-hydroxy-5-(2-(3-hydroxy-4-methoxyphenyl)ethenyl)phenyl (9CI) .