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Saikogenin A
PHCD compound ID : 2717
Chemical Names :
Saikogenin A
Molecular Formula : C30H48O4
Molecular Weight : 472.35526
More Details :
Names & Synonyms: (3S,4R,4aR,6aR,6bS,8S,8aS,14aR,14bS)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicene-3,8-diol , (3S,4R,4aR,6aR,6bS,8S,8aS,14aR,14bS)-4,6a,6b,11,11,14b-hexamethyl-4,8a-dimethylol-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicene-3,8-diol
Smiles: OC[C@@]12CCC(CC2=C2[C@](C[C@@H]1O)(C)[C@]1(C)CC[C@@H]3[C@]([C@H]1C=C2)(C)CC[C@@H]([C@@]3(C)CO)O)(C)C
InChi : InChI=1S/C30H48O4/c1-25(2)13-14-30(18-32)20(15-25)19-7-8-22-26(3)11-10-23(33)27(4,17-31)21(26)9-12-28(22,5)29(19,6)16-24(30)34/h7-8,21-24,31-34H,9-18H2,1-6H3/t21-,22-,23+,24+,26+,27+,28-,29-,30-/m1/s1
InChi Key : InChIKey=QGNVMEXLLPGQEV-HSFRRAFJSA-N
PubChem ID : 99651
Rotatable bond count : 2 Rule of five : 1
Hydrogen bond acceptor count : 4 Ionization potential : 8.749135
Hydrogen bond donor count : 4 Electric dipole moment : 3.694
XLogP : 6.77 VDW volume : 495.541693
Molecular weight : 472.35526 HOMO-LUMO gap : 8.971000
Herb list :
Refrences & Litretures:
  
315.      Journal:'FABAD J. Pharm. Sci'      Year:'2004'      Volume:'29'      Page:'93'      DOI:''      Title:'Chemical Constituents of Verbascum L. Species'
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