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CAS 62687-63-2 Saikosaponin F molecular structure lightbox
CAS RN: 62687-63-2

Saikosaponin F

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6 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250713 10mg Out of stock Inquiry
Batchno.20251202 1mg Out of stock Inquiry
Batchno.20250518 25mg Out of stock Inquiry
Batchno.20250710 50mg Out of stock Inquiry
Batchno.20250209 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251202 5mg In stock Shandong, Hebei Inquiry
  • Product code: starshine_CAS62687-63-2
  • Purity/Analytical Methods: >99.0%
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62687-63-2 / (2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Standard CAS: 62687-63-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62687-63-2
Multi CAS
Yes
Molecular Formula
C48H80O17
Molecular Weight
929.100000
Exact Mass
928.539551
InChI
InChI=1S/C48H80O17/c1-22-31(52)33(54)37(58)41(61-22)65-39-26(20-60-40-36(57)34(55)32(53)25(19-49)62-40)63-42(38(59)35(39)56)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-23-24-17-43(2,3)15-16-48(24,21-50)29(51)18-47(23,46)8/h9,22,24-42,49-59H,10-21H2,1-8H3/t22-,24-,25+,26+,27-,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38+,39+,40+,41-,42-,45-,46+,47+,48+/m0/s1
InChIKey
SXILFEBNQCRWAL-VERCZQKXSA-N

Computed Properties

Structural Parameters

Heavy atom count
65
Fraction Csp3
0.96
Rotatable bonds
9
H-bond acceptors
17
H-bond donors
11
Molar refractivity
230.01
TPSA
277.91

LogP / Solubility

WLOGP
0.61
MLOGP
0.63
XLogP3
2.1
Consensus LogP
1.11
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.29
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)
-7.95

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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