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ScientificNameLabel
Sennidin A
PHCD compound ID : 3297
Chemical Names :
Sennidin A
Molecular Formula : C30H18O10
Molecular Weight : 538.089997
More Details :
Names & Synonyms: (9R)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid , (9R)-9-[(9R)-2-carboxy-4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]-4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracene-2-carboxylic acid , (9R)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-keto-9H-anthracen-9-yl]-4,5-dihydroxy-10-keto-9H-anthracene-2-carboxylic acid
Smiles: Oc1cccc2c1C(=O)c1c([C@@H]2[C@@H]2c3cccc(c3C(=O)c3c2cc(cc3O)C(=O)O)O)cc(cc1O)C(=O)O
InChi : InChI=1S/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)/t21-,22-/m1/s1
InChi Key : InChIKey=JPMRHWLJLNKRTJ-FGZHOGPDSA-N
PubChem ID : 92826
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 10 Ionization potential : 9.500657
Hydrogen bond donor count : 6 Electric dipole moment : 2.764
XLogP : 0.244 VDW volume : 455.416173
Molecular weight : 538.089997 HOMO-LUMO gap : 7.961000
Herb list :
Refrences & Litretures:
  
448.      Journal:'Indian Journal of Natural Products and Resources'      Year:'2010'      Volume:'3'      Page:'291'      DOI:''      Title:'A review on anthraquinones isolated from Cassia species and their applications'
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