Calycosin 7-O-glucoside

• Catalog Number: ACM20633674
• Product Name: Calycosin 7-O-glucoside
• CAS: 20633-67-4
• Category: Heterocyclic Organic Compound
• Synonyms: 3',7-Dihydroxy-4'-methoxyisoflavone-7-beta-D-glucopyranoside
• IUPAC Name: 3-(3-Hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
• Molecular Weight: 446.4
• Molecular Formula: C22H22O10
• Canonical SMILES: COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
• InChI: InChI=1S/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
• InChI Key: WACBUPFEGWUGPB-MIUGBVLSSA-N
• Boiling Point: 745.2±60.0 °C
• Melting Point: 220-228 °C
• Density: 1.545 g/ml
• Appearance: Powder
• pKa: 9.48±0.10

Custom Q&A

What is the molecular formula of Calycosin 7-O-glucoside?

The molecular formula of Calycosin 7-O-glucoside is C22H22O10.

What is the molecular weight of Calycosin 7-O-glucoside?

The molecular weight of Calycosin 7-O-glucoside is 446.4 g/mol.

What is the IUPAC name of Calycosin 7-O-glucoside?

The IUPAC name of Calycosin 7-O-glucoside is 3-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.

What are the synonyms of Calycosin 7-O-glucoside?

The synonyms of Calycosin 7-O-glucoside include 20633-67-4, Calycosin-7-O-beta-D-glucoside, Calycosin 7-O-glucoside, calycosin-7-O-beta-D-glucopyranoside, and more.

Where is Calycosin 7-O-glucoside found?

Calycosin 7-O-glucoside is found in Astragalus mongholicus, Maackia amurensis, and other organisms.

What is the InChIKey of Calycosin 7-O-glucoside?

The InChIKey of Calycosin 7-O-glucoside is WACBUPFEGWUGPB-MIUGBVLSSA-N.

What is the Canonical SMILES of Calycosin 7-O-glucoside?

The Canonical SMILES of Calycosin 7-O-glucoside is COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O.

What is the CAS number of Calycosin 7-O-glucoside?

The CAS number of Calycosin 7-O-glucoside is 20633-67-4.

What is the XLogP3-AA value of Calycosin 7-O-glucoside?

The XLogP3-AA value of Calycosin 7-O-glucoside is 0.6.

What is the topological polar surface area of Calycosin 7-O-glucoside?

The topological polar surface area of Calycosin 7-O-glucoside is 155 ?2.