Mulberroside A

• CAS: 102841-42-9
• Catalog Number: ACM102841429
• Category: Inhibitors
• Molecular Weight: 568.52
• Molecular Formula: C26H32O14
• Description: Mulberroside A is one of the main bioactive constituent in mulberry (Morus alba L.). Mulberroside A decreases the expressions of TNF-α, IL-1β, and IL-6 and inhibits the activation of NALP3, caspase-1, and NF-κB and the phosphorylation of ERK, JNK, and p38, exhibiting anti-inflammatory antiapoptotic effects. Mulberroside A shows inhibitory activity against mushroom tyrosinase with an IC50 of 53.6 μM.
• Synonyms: 2,5'-Dihydroxy-4,3'-bis(beta-D-glucopyranosyloxy)-trans-stilbene
• IUPAC Name: (2S,3R,4S,5S,6R)-2-[3-hydroxy-4-[(E)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• Canonical SMILES: C1=CC(=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)/C=C/C3=CC(=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
• InChI: InChI=1S/C26H32O14/c27-9-17-19(31)21(33)23(35)25(39-17)37-14-4-3-12(16(30)8-14)2-1-11-5-13(29)7-15(6-11)38-26-24(36)22(34)20(32)18(10-28)40-26/h1-8,17-36H,9-10H2/b2-1+/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1
• InChI Key: HPSWAEGGWLOOKT-VUNDNAJOSA-N
• Boiling Point: 954.7±65.0 °C
• Melting Point: 235-236 °C
• Flash Point: 531 °C
• Density: 1.654 g/ml
• Appearance: Powder
• pKa: 9.03±0.40

Custom Q&A

What is the molecular formula of Mulberroside A?

The molecular formula of Mulberroside A is C26H32O14.

What is the molecular weight of Mulberroside A?

The molecular weight of Mulberroside A is 568.5 g/mol.

What is the IUPAC name of Mulberroside A?

The IUPAC name of Mulberroside A is (2S,3R,4S,5S,6R)-2-[3-hydroxy-4-[(E)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the Canonical SMILES of Mulberroside A?

The Canonical SMILES of Mulberroside A is C1=CC(=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)O)C=CC3=CC(=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O.

What is the InChIKey of Mulberroside A?

The InChIKey of Mulberroside A is HPSWAEGGWLOOKT-VUNDNAJOSA-N.

What is the XLogP3-AA value of Mulberroside A?

The XLogP3-AA value of Mulberroside A is -0.8.

How many Hydrogen Bond Donor Count does Mulberroside A have?

Mulberroside A has 10 Hydrogen Bond Donor Counts.

How many Hydrogen Bond Acceptor Count does Mulberroside A have?

Mulberroside A has 14 Hydrogen Bond Acceptor Counts.

How many Rotatable Bond Count does Mulberroside A have?

Mulberroside A has 8 Rotatable Bond Counts.

What is the Topological Polar Surface Area of Mulberroside A?

The Topological Polar Surface Area of Mulberroside A is 239 Ų.