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CAS 29706-59-0 lucidin 3-O-beta-primveroside molecular structure lightbox
CAS RN: 29706-59-0

lucidin 3-O-beta-primveroside

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250925 2mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260626 1mg In stock Shanghai Inquiry
Batchno.20250207 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS29706-59-0
  • Purity/Analytical Methods: >99.0%
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29706-59-0 / 1-hydroxy-2-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione

Standard CAS: 29706-59-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29706-59-0
Multi CAS
Yes
Molecular Formula
C26H28O14
Molecular Weight
564.500000
Exact Mass
564.147906
InChI
InChI=1S/C26H28O14/c27-6-12-14(5-11-16(19(12)31)18(30)10-4-2-1-3-9(10)17(11)29)39-26-24(36)22(34)21(33)15(40-26)8-38-25-23(35)20(32)13(28)7-37-25/h1-5,13,15,20-28,31-36H,6-8H2/t13-,15-,20+,21-,22+,23-,24-,25+,26-/m1/s1
InChIKey
NVKNRXOMCYTFJF-WFLOGZPDSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
14
H-bond donors
8
Molar refractivity
128.36
TPSA
232.9

LogP / Solubility

WLOGP
-2.7
MLOGP
-2.33
XLogP3
-2.1
Consensus LogP
-2.38
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
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)
-8.08

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5

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