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CAS 181225-33-2 ginsenoside F4 molecular structure lightbox
CAS RN: 181225-33-2

ginsenoside F4

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260209 10mg In stock Shanghai Inquiry
Batchno.20260206 25mg In stock Shanghai Inquiry
Batchno.20251213 50mg Out of stock Inquiry
Batchno.20251010 5mg Out of stock Inquiry
  • Product code: starshine_CAS181225-33-2
  • Purity/Analytical Methods: >99.0%
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181225-33-2 / (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2Z)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Standard CAS: 181225-33-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
181225-33-2
Multi CAS
No
Molecular Formula
C42H70O12
Molecular Weight
767.000000
Exact Mass
766.486728
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3C[C@@]4([C@H](C[C@H]([C@H]5[C@]4(CC[C@@H]5/C(=C\CC=C(C)C)/C)C)O)[C@@]6([C@@H]3C([C@H](CC6)O)(C)C)C)C)CO)O)O)O)O)O
InChI
InChI=1S/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11-12,22-38,43-50H,10,13-19H2,1-9H3
InChIKey
QOMBXPYXWGTFNR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Fraction Csp3
0.9
Rotatable bonds
8
H-bond acceptors
12
H-bond donors
8
Molar refractivity
199.44
TPSA
198.76

LogP / Solubility

WLOGP
2.95
MLOGP
2.67
XLogP3
4.5
Consensus LogP
3.37
Log S (ESOL)
-5.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.06
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
Yes
Log Kp (skin permeation)
-5.3

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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