![CAS 100202-29-7 [3S,5aα,6aα,10bβ,(+)]-9α-(3-Furanyl)-3α-(β-D-glucopyranosyloxy)dodecahydro-3aβ-hydroxy-10aα,10cβ-dimethyl-4H,7H-furo[2′,3′,4′:4,5]naphtho[2,1-c]pyran-4,7-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/100202-29-7.gif)
CAS RN: 100202-29-7
[3S,5aα,6aα,10bβ,(+)]-9α-(3-Furanyl)-3α-(β-D-glucopyranosyloxy)dodecahydro-3aβ-hydroxy-10aα,10cβ-dimethyl-4H,7H-furo[2′,3′,4′:4,5]naphtho[2,1-c]pyran-4,7-dione
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260326 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS100202-29-7
- Purity/Analytical Methods: >99.0%
100202-29-7 / 4-(furan-3-yl)-12-hydroxy-2,16-dimethyl-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadecane-6,11-dione
Borapetoside | SCHEMBL12542906 | [3S,5aalpha,6aalpha,10bbeta,(+)]-9alpha-(3-Furanyl)-3alpha-(beta-D-glucopyranosyloxy)dodecahydro-3abeta-hydroxy-10aalpha,10cbeta-dimethyl-4H,7H-furo[2',3',4'
Basic Information
CAS
100202-29-7
Multi CAS
Yes
Molecular Formula
C26H34O12
Molecular Weight
538.500000
Exact Mass
538.205027
SMILES
CC12CC(OC(=O)C1CC3C4(C2CCC(C4(C(=O)O3)O)OC5C(C(C(C(O5)CO)O)O)O)C)C6=COC=C6
InChI
InChI=1S/C26H34O12/c1-24-8-13(11-5-6-34-10-11)35-21(31)12(24)7-17-25(2)15(24)3-4-16(26(25,33)23(32)38-17)37-22-20(30)19(29)18(28)14(9-27)36-22/h5-6,10,12-20,22,27-30,33H,3-4,7-9H2,1-2H3
InChIKey
GCXIISSOWSXMCD-UHFFFAOYSA-N
Synonyms
Borapetoside
SCHEMBL12542906
[3S,5aalpha,6aalpha,10bbeta,(+)]-9alpha-(3-Furanyl)-3alpha-(beta-D-glucopyranosyloxy)dodecahydro-3abeta-hydroxy-10aalpha,10cbeta-dimethyl-4H,7H-furo[2',3',4'
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
5
Fraction Csp3
0.77
Rotatable bonds
4
H-bond acceptors
12
H-bond donors
5
Molar refractivity
122.67
TPSA
185.35
LogP / Solubility
WLOGP
-0.45
MLOGP
-0.35
XLogP3
-0.3
Consensus LogP
-0.37
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly 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)
-6.32
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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