![CAS 76296-71-4 Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-[2H]pyran] alpha-D-glucopyranoside deriv. molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/76296-71-4.gif)
CAS RN: 76296-71-4
Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-[2H]pyran] alpha-D-glucopyranoside deriv.
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: starshine_CAS76296-71-4
- Purity/Analytical Methods: >99.0%
76296-71-4 / (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,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]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
Basic Information
CAS
76296-71-4
Multi CAS
Yes
Molecular Formula
C39H62O12
Molecular Weight
722.900000
Exact Mass
722.424127
InChI
InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(45)34(30(42)27(16-40)49-36)50-35-32(44)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,38+,39-/m1/s1
InChIKey
OJCPWEBMROBPTK-GTCMQMDYSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Fraction Csp3
0.95
Rotatable bonds
5
H-bond acceptors
12
H-bond donors
6
Molar refractivity
181.56
TPSA
176.76
LogP / Solubility
WLOGP
2.39
MLOGP
2.17
XLogP3
3
Consensus LogP
2.52
Log S (ESOL)
-5.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.94
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)
-5.43
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
Customers Also Viewed
-
Chonglou Saponin II
- CAS RN: 76296-72-5
- Product Code: starshine_CAS76296-72-5
- Purity/Analytical method: >99.0%
-
POLYPHYLLIN B (RG)
- CAS RN: 76296-73-6
- Product Code: starshine_CAS76296-73-6
- Purity/Analytical method: >99.0%
-
POLYPHYLLIN E (RG)
- CAS RN: 76296-74-7
- Product Code: starshine_CAS76296-74-7
- Purity/Analytical method: >99.0%
-
-
6-CHLORO-8-METHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-ONE
- CAS RN: 76301-90-1
- Product Code: SSC-185733
-
