Platycaryanin D

Base Information

• Chemical Name: Platycaryanin D
• CAS No.: 155073-98-6
• Molecular Formula: C34H24 O22
• UNII: 8S667O756P
• Nikkaji Number: J356.657I
• Wikidata: Q27270953
• Mol file: 155073-98-6.mol

Synonyms:alpha-pedunculagin;cyclic 2,3:4,6-bis(4,4',5,5',6,6'-hexahydroxydiphenate)-alpha-D-glucopyranose;cyclic 2,3:4,6-bis(4,4',5,5',6,6'-hexahydroxydiphenate)-beta-D-glucopyranose;pedunculagin;pedunculagin I;pedunculagin II;pedunculagin, R-isomer;platycaryanin D

Chemical Property of Platycaryanin D

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 2
• Exact Mass: 784.07592239
• Heavy Atom Count: 56
• Complexity: 1500

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C4C(OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O4)O)O)O)O)O)O)C=O)O
• Isomeric SMILES: C1[C@H]([C@@H](OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)[C@H]4[C@@H](OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O4)O)O)O)O)O)O)C=O)O