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CAS 50773-42-7 formosanin C molecular structure lightbox
CAS RN: 50773-42-7

formosanin C

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260306 100mg In stock Shanghai Inquiry
Batchno.20251128 250mg In stock Shanghai Inquiry
Batchno.20250611 25mg In stock Shanghai Inquiry
Batchno.20260224 50mg In stock Shanghai Inquiry
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Batchno.20250523 100mg In stock Shanghai Inquiry
Batchno.20260228 20mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS50773-42-7
  • Purity/Analytical Methods: >99.0%
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50773-42-7 / (2S,3S,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Standard CAS: 50773-42-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50773-42-7
Multi CAS
Yes
Molecular Formula
C51H82O20
Molecular Weight
1015.200000
Exact Mass
1014.539945
InChI
InChI=1S/C51H82O20/c1-20-10-15-51(62-19-20)21(2)32-30(71-51)17-29-27-9-8-25-16-26(11-13-49(25,6)28(27)12-14-50(29,32)7)66-48-44(70-46-39(59)36(56)34(54)23(4)64-46)41(61)43(31(18-52)67-48)69-47-40(60)37(57)42(24(5)65-47)68-45-38(58)35(55)33(53)22(3)63-45/h8,20-24,26-48,52-61H,9-19H2,1-7H3/t20-,21+,22+,23+,24+,26+,27-,28+,29+,30+,31-,32+,33+,34+,35-,36-,37+,38-,39-,40-,41+,42+,43-,44-,45+,46+,47+,48-,49+,50+,51-/m1/s1
InChIKey
OZIHYFWYFUSXIS-HDDFSWBLSA-N

Computed Properties

Structural Parameters

Heavy atom count
71
Fraction Csp3
0.96
Rotatable bonds
9
H-bond acceptors
20
H-bond donors
10
Molar refractivity
244
TPSA
294.6

LogP / Solubility

WLOGP
0.09
MLOGP
0.18
XLogP3
0.2
Consensus LogP
0.16
Log S (ESOL)
-5.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.42
Class (SILICOS-IT)
Insoluble

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)
-8.85

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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