Solasonine

• Catalog Number: ACM19121585
• Product Name: Solasonine
• CAS: 19121-58-5
• Category: Heterocyclic Organic Compound
• Synonyms: [(22R,25R)-Spirosol-5-en-3β-yl]2-O-(6-deoxy-α-L-mannopyranosyl)-3-O-(β-D-glucopyranosyl)-β-D-galactopyranoside
• Molecular Weight: 884.1
• Molecular Formula: C₄₅H₇₃NO₁₆
• InChI: InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1
• InChI Key: QCTMYNGDIBTNSK-XEAAVONHSA-N
• Melting Point: 301-303 °C
• Density: 1.42
• Complexity: 1630
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 26
• Exact Mass: 883.49293524
• Heavy Atom Count: 62
• Hydrogen Bond Acceptor Count: 17
• Hydrogen Bond Donor Count: 10
• Isomeric SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)NC1
• Monoisotopic Mass: 883.49293524
• Physical State: Powder
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 259 Ų

Custom Q&A

What is the molecular formula of Solasonine?

The molecular formula of Solasonine is C45H73NO16.

What are some synonyms of Solasonine?

Some synonyms of Solasonine are Tomatine, solaradixine, Solasonin, and alpha-Solasonine.

In which organisms is Solasonine naturally found?

Solasonine is naturally found in Solanum americanum, Solanum dimidiatum, and other organisms with data available.

What is the molecular weight of Solasonine?

The molecular weight of Solasonine is 884.1 g/mol.

What is the structure of Solasonine?

Solasonine is an azaspiro compound, an oxaspiro compound, and a steroid.

What is the InChIKey of Solasonine?

The InChIKey of Solasonine is QCTMYNGDIBTNSK-XEAAVONHSA-N.

What is the Canonical SMILES of Solasonine?

The Canonical SMILES of Solasonine is CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1.

What is the CAS number of Solasonine?

The CAS number of Solasonine is 19121-58-5.

How many hydrogen bond donor counts does Solasonine have?

Solasonine has 10 hydrogen bond donor counts.

What is the XLogP3-AA value of Solasonine?

The XLogP3-AA value of Solasonine is 1.1.