Bacoside A

• Catalog Number: ACM11028005
• Product Name: Bacoside A
• CAS: 11028-00-5
• Category: Heterocyclic Organic Compound
• Synonyms: BACOSIDE A(SH);3-[(O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-19,20-dihydroxydammar-24-en-16-one;Dammar-24-en-16-one,3-[(O-R-Larabinopyranosyl- â-D-glucopyranosyl)oxy]-19,- 20-dihydroxy-
• IUPAC Name: (5R,8R,9S,10S,13R,14R,17S)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-10-(hydroxymethyl)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,14-tetramethyl-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
• Molecular Weight: 769.0
• Molecular Formula: C41H68O13
• Canonical SMILES: CC(=CCCC(C)(C1C2CCC3C(C2(CC1=O)C)(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)OC6C(C(C(CO6)O)O)O)O)O)CO)C)O)C
• InChI: InChI=1S/C41H68O13/c1-21(2)9-8-14-40(7,50)29-22-10-11-27-38(5,39(22,6)17-23(29)44)15-12-26-37(3,4)28(13-16-41(26,27)20-43)53-36-33(49)31(47)34(25(18-42)52-36)54-35-32(48)30(46)24(45)19-51-35/h9,22,24-36,42-43,45-50H,8,10-20H2,1-7H3/t22-,24+,25-,26+,27+,28?,29-,30+,31-,32-,33-,34-,35+,36+,38-,39-,40+,41-/m1/s1
• InChI Key: LKCTWIIDXXXXAR-CYGHALRTSA-N
• Appearance: White powder

Custom Q&A

What is the PubChem CID of Bacoside A?

The PubChem CID of Bacoside A is 92043183.

What is the molecular formula of Bacoside A?

The molecular formula of Bacoside A is C41H68O13.

Is Bacoside A a triterpenoid saponin?

Yes, Bacoside A is a triterpenoid saponin.

What is the molecular weight of Bacoside A?

The molecular weight of Bacoside A is 769.0 g/mol.

When was Bacoside A created in PubChem?

Bacoside A was created in PubChem on November 11, 2015.

When was Bacoside A last modified in PubChem?

Bacoside A was last modified in PubChem on December 30, 2023.

What is the IUPAC name of Bacoside A?

The IUPAC name of Bacoside A is (5R,8R,9S,10S,13R,14R,17S)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-10-(hydroxymethyl)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,14-tetramethyl-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-16-one.

What is the InChIKey of Bacoside A?

The InChIKey of Bacoside A is LKCTWIIDXXXXAR-CYGHALRTSA-N.

What is the canonical SMILES of Bacoside A?

The canonical SMILES of Bacoside A is CC(=CCCC(C)(C1C2CCC3C(C2(CC1=O)C)(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)OC6C(C(C(CO6)O)O)O)O)O)CO)C)O)C.

How many hydrogen bond acceptor counts does Bacoside A have?

Bacoside A has 13 hydrogen bond acceptor counts.