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CAS 193483-95-3 Mulberroside F molecular structure lightbox
CAS RN: 193483-95-3

Mulberroside F

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Batchno.20260430 10mg Out of stock Inquiry
  • Product code: starshine_CAS193483-95-3
  • Purity/Analytical Methods: >99.0%
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193483-95-3 / (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-benzofuran-6-yl]oxy]oxane-3,4,5-triol

Standard CAS: 193483-95-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
193483-95-3
Multi CAS
No
Molecular Formula
C26H30O14
Molecular Weight
566.500000
Exact Mass
566.163556
SMILES
C1=CC2=C(C=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=C2)C4=CC(=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
InChI
InChI=1S/C26H30O14/c27-8-17-19(30)21(32)23(34)25(39-17)36-13-2-1-10-5-15(38-16(10)7-13)11-3-12(29)6-14(4-11)37-26-24(35)22(33)20(31)18(9-28)40-26/h1-7,17-35H,8-9H2/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1
InChIKey
YPMOTUXWPXDQDJ-PCIRLDFKSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
15
Fraction Csp3
0.46
Rotatable bonds
7
H-bond acceptors
14
H-bond donors
9
Molar refractivity
132.11
TPSA
232.13

LogP / Solubility

WLOGP
-1.84
MLOGP
-1.57
XLogP3
-0.7
Consensus LogP
-1.37
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-7.48

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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