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CAS 88700-35-0 1-borneol-beta-apisyl-beta-glucopyranoside molecular structure lightbox
CAS RN: 88700-35-0

1-borneol-beta-apisyl-beta-glucopyranoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260409 1mg / 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS88700-35-0
  • Purity/Analytical Methods: >99.0%
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88700-35-0 / 2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]oxane-3,4,5-triol

Standard CAS: 88700-35-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88700-35-0
Multi CAS
Yes
Molecular Formula
C21H36O10
Molecular Weight
448.500000
Exact Mass
448.230847
InChI
InChI=1S/C21H36O10/c1-19(2)10-4-5-20(19,3)12(6-10)31-17-15(25)14(24)13(23)11(30-17)7-28-18-16(26)21(27,8-22)9-29-18/h10-18,22-27H,4-9H2,1-3H3/t10-,11?,12+,13+,14-,15+,16-,17-,18+,20+,21+/m0/s1
InChIKey
RVQFSOHDFFWTLD-ZZUMIZGVSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
6
Molar refractivity
104.52
TPSA
158.3

LogP / Solubility

WLOGP
-1.52
MLOGP
-1.31
XLogP3
-0.9
Consensus LogP
-1.24
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-6.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10

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