Portulacerebroside A

ScientificNameLabel

Portulacerebroside A
PHCD compound ID :	2672
Chemical Names :	Portulacerebroside A
Molecular Formula :	C48H93N1O10
Molecular Weight :	843.679948

More Details :

Names & Synonyms:
Smiles:	CCCCCCCCCCCCCCCCCCCCC/C=C/C[C@H](C(=O)N[C@H]([C@@H]([C@@H](CCCCCCCCCCCC)O)O)CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O
InChi :	InChI=1S/C48H93NO10/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-14-12-10-8-6-4-2/h32,34,39-46,48,50-56H,3-31,33,35-38H2,1-2H3,(H,49,57)/b34-32+/t39-,40+,41+,42+,43-,44+,45-,46+,48+/m0/s1
InChi Key :	InChIKey=KJNHIWUXQRJQQY-QVWSJUNLSA-N
PubChem ID :

Rotatable bond count :	42	Rule of five :	4
Hydrogen bond acceptor count :	11	Ionization potential :	9.732047
Hydrogen bond donor count :	8	Electric dipole moment :	4.238
XLogP :	14.906	VDW volume :	920.033372
Molecular weight :	843.679948	HOMO-LUMO gap :	10.335000

Herb list :

Common purslane - Portulaca oleracea - خرفه

Refrences & Litretures:


309. Journal:'BioMed Research International' Year:'2015' Volume:'' Page:'925631' DOI:'10.1155/2015/925631' Title:'Portulaca oleracea L.: A Review of Phytochemistry and Pharmacological Effects'

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