Bacoside a3(p)

• Catalog Number: ACM157408087
• Product Name: Bacoside a3(p)
• CAS: 157408-08-7
• Category: Heterocyclic Organic Compound
• Synonyms: BACOSIDE A3(P);BACOSIDE A3(SH);Bacoside A3 (15 mg);(3β,16β,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-α-L-arabinofuranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranoside;Jujubogenin 3-O-[α-L-arabinofuranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranoside]
• Molecular Weight: 929.099
• Molecular Formula: C₄₇H₇₆O₁₈
• Density: 1.43

Custom Q&A

What is the molecular formula of Bacoside A3?

The molecular formula of Bacoside A3 is C47H76O18.

What is the molecular weight of Bacoside A3?

The molecular weight of Bacoside A3 is 929.1 g/mol.

What is the IUPAC name of Bacoside A3?

The IUPAC name of Bacoside A3 is (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-2-(hydroxymethyl)-6-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.0 1,14 .0 2,11 .0 5,10 .0 15,20 ]tricosan-7-yl]oxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the InChI of Bacoside A3?

The InChI of Bacoside A3 is InChI=1S/C47H76O18/c1-21(2)14-22-15-45(7,57)38-23-8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,6)46(23)19-47(38,65-22)58-20-46)62-41-37(64-39-34(55)31(52)25(17-49)60-39)36(32(53)26(18-50)61-41)63-40-35(56)33(54)30(51)24(16-48)59-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/t22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,32+,33-,34+,35+,36-,37+,38-,39-,40-,41-,43-,44+,45-,46-,47-/m0/s1.

What is the Canonical SMILES of Bacoside A3?

The Canonical SMILES of Bacoside A3 is CC(=CC1CC(C2C3CCC4C5(CCC(C(C5CCC4(C36CC2(O1)OC6)C)(C)C)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(O9)CO)O)O)C)(C)O)C.

What is the XLogP3-AA value of Bacoside A3?

The XLogP3-AA value of Bacoside A3 is 2.1.

How many hydrogen bond donor counts are there in Bacoside A3?

There are 10 hydrogen bond donor counts in Bacoside A3.

How many hydrogen bond acceptor counts are there in Bacoside A3?

There are 18 hydrogen bond acceptor counts in Bacoside A3.

How many rotatable bond counts are there in Bacoside A3?

There are 10 rotatable bond counts in Bacoside A3.