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Lipinkski's Rule

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Phytochemical		Molecular Formula		Mw		HBD		HBA		LogP		PSA		Scientific Name		Source
Tiliroside		C30H26O13		594.52		7		13		2.212		0.392		Aerva lanata		General
Kaempferol 3-(3'',6''-di-p-coumarylglucoside)		C39H32O15		740.662		7		15		4.481		0.35		Aerva lanata		General
Isorhamnetin 3-(6''-p-coumarylglucoside)		C31H28O14		624.546		7		14		2.195		0.384		Aerva lanata		General
Isorhamnetin 3-(3'',6''-di-p-coumarylglucoside)		C40H34O16		770.688		7		16		4.465		0.346		Aerva lanata		General
Cyanidin 3-O-glucoside		C21H21O11+		449.385		8		10		1.108		0.47		Allium cepa		General
Gibberellin A1		C19H24O6		348.39		3		6		0.617		0.319		Allium cepa		General
Gibberellin A20		C19H24O5		332.391		2		5		1.719		0.265		Allium cepa		General
Octadecanoic acid		C18H36O2		228.371		1		2		5.48		0.13		Piper nigrum		General
alpha-Pinene		C10H16		136.234		0		0		2.872		0		Valeriana jatamansi		Valeriana jatamansi_Root oil
alpha-Pinene		C10H16		136.234		0		0		2.872		0		Vitex negundo		Essential oil
alpha-Pinene		C10H16		136.234		0		0		2.872		0		Vitex negundo		Essential oil
p-Cymene		C10H14		148.202		0		1		2.783		0.097		Valeriana jatamansi		Valeriana jatamansi_Root oil
p-Cymene		C10H14		134.218		0		0		3.51		0		Valeriana jatamansi		Valeriana jatamansi_Root oil
(E)-Caryophyllene		C15H24		204.351		0		0		4.753		0		Vitex negundo		Essential oil
(E)-Caryophyllene		C15H24		204.351		0		0		4.753		0		Vitex negundo		Essential oil
(-)-Zingiberene		C15H24		204.351		0		0		5.08		0		Piper longum		Essential oil of fruit
(-)-Zingiberene		C15H24		204.351		0		0		5.08		0		Piper longum		Essential oil of fruit
Ferulic acid		C10H10O4		194.184		2		4		1.669		0.325		Allium cepa		Plant
(-)-beta-Sitosterol		C29H50O		414.707		1		1		8.084		0.042		Borassus flabellifer		Borassus flabellifer_general
(-)-beta-Sitosterol		C29H50O		414.707		1		1		8.084		0.042		Piper nigrum		Stem

Total rows: 79

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