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CAS 909803-26-5 Sinocrassoside C1 molecular structure lightbox
CAS RN: 909803-26-5

Sinocrassoside C1

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250326 5mg / 10mg / 20mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS909803-26-5
  • Purity/Analytical Methods: >99.0%
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909803-26-5 / 5,8-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

Standard CAS: 909803-26-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
909803-26-5
Multi CAS
Yes
Molecular Formula
C27H30O16
Molecular Weight
610.500000
Exact Mass
610.153385
InChI
InChI=1S/C27H30O16/c1-8-15(31)19(35)21(37)26(39-8)40-12-6-11(30)14-18(34)25(43-27-22(38)20(36)16(32)13(7-28)41-27)23(42-24(14)17(12)33)9-2-4-10(29)5-3-9/h2-6,8,13,15-16,19-22,26-33,35-38H,7H2,1H3/t8-,13+,15-,16+,19+,20-,21+,22+,26-,27-/m0/s1
InChIKey
QYECIBJZFSVSHH-CPBWYJGASA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
16
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
16
H-bond donors
10
Molar refractivity
140.29
TPSA
269.43

LogP / Solubility

WLOGP
-2.04
MLOGP
-1.74
XLogP3
-0.9
Consensus LogP
-1.56
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly 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)
-7.89

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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