Ombuoside

Name: Ombuoside
SKU: PI20188856
Rating: 5 (1 reviews)

Cat. No.: PI20188856

Product Details Other Identifiers Computed Properties

CAS	20188-85-6
Synonyms	5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
Purity	98%
Molecular Formula	C29H34O16
Molecular Weight	638.57
Molar Refractivity	150.32

MDL Number

MFCD00238653

Hydrogen Bond Donor Count	8.0
Hydrogen Bond Acceptor Count	16.0
Rotatable Bond Count	8
Topological Polar Surface Area	247.43 Å²
Heavy Atom Count	45
Aromatic Heavy Atoms Number	16
Fraction Csp3	0.48
Log Po/w (iLOGP)	3.4
Log Po/w (XLOGP3)	0.32
Log Po/w (WLOGP)	-1.08
Log Po/w (MLOGP)	-3.5
Log Po/w (SILICOS-IT)	-0.99
Consensus Log Po/w	-0.37
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-9.97 cm/s
Lipinski	3.0
Ghose	None
Veber	1.0
Egan	1.0
Muegge	4.0
Bioavailability Score	0.17
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	2.0
Synthetic Accessibility	6.78

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