CAS RN: 34336-18-0
Kaempferol-3-rhamnoglucoside-7-glucoside
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS34336-18-0
- Purity/Analytical Methods: >99.0%
34336-18-0 / 5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
Basic Information
CAS
34336-18-0
Multi CAS
Yes
Molecular Formula
C33H40O20
Molecular Weight
756.700000
Exact Mass
756.211294
InChI
InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-13(49-32-27(45)24(42)20(38)16(8-34)51-32)7-15(18)50-29(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1
InChIKey
SCEPATPTKMFDSR-QDSFYBSMSA-N
Computed Properties
Structural Parameters
Heavy atom count
53
Aromatic heavy atom count
16
Fraction Csp3
0.55
Rotatable bonds
9
H-bond acceptors
20
H-bond donors
12
Molar refractivity
171.26
TPSA
328.35
LogP / Solubility
WLOGP
-3.92
MLOGP
-3.38
XLogP3
-2.7
Consensus LogP
-3.33
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-10.12
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
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