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CAS 56343-26-1 helichrysoside molecular structure lightbox
CAS RN: 56343-26-1

helichrysoside

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260120 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS56343-26-1
  • Purity/Analytical Methods: >99.0%
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56343-26-1 / [(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

Standard CAS: 56343-26-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56343-26-1
Multi CAS
Yes
Molecular Formula
C30H26O14
Molecular Weight
610.500000
Exact Mass
610.132256
InChI
InChI=1S/C30H26O14/c31-15-5-1-13(2-6-15)3-8-22(36)41-12-21-24(37)26(39)27(40)30(43-21)44-29-25(38)23-19(35)10-16(32)11-20(23)42-28(29)14-4-7-17(33)18(34)9-14/h1-11,21,24,26-27,30-35,37,39-40H,12H2/b8-3+/t21-,24-,26+,27-,30+/m1/s1
InChIKey
NBAZENYUDPJQIH-DVQXAVRRSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
22
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
14
H-bond donors
8
Molar refractivity
149.99
TPSA
236.81

LogP / Solubility

WLOGP
1.43
MLOGP
1.31
XLogP3
2.1
Consensus LogP
1.61
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly 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)
-5.43

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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