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CAS 81917-50-2 PolyphyllinH molecular structure lightbox
CAS RN: 81917-50-2

PolyphyllinH

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250315 10mg In stock Shanghai Inquiry
Batchno.20260116 25mg In stock Shanghai Inquiry
Batchno.20260205 50mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251103 10mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250803 20mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS81917-50-2
  • Purity/Analytical Methods: >99.0%
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81917-50-2 / 2-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-(8-hydroxy-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-3-yl]oxy-6-methyloxane-3,4,5-triol

Standard CAS: 81917-50-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81917-50-2
Multi CAS
Yes
Molecular Formula
C44H70O17
Molecular Weight
871.000000
Exact Mass
870.461301
InChI
InChI=1S/C44H70O17/c1-19-8-13-43(54-18-19)21(3)44(53)29(61-43)15-26-24-7-6-22-14-23(9-11-41(22,4)25(24)10-12-42(26,44)5)56-40-37(60-38-34(51)32(49)30(47)20(2)55-38)35(52)36(28(17-46)58-40)59-39-33(50)31(48)27(16-45)57-39/h6,19-21,23-40,45-53H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35+,36-,37-,38+,39+,40-,41+,42+,43-,44-/m1/s1
InChIKey
DEUSODBYLVUUQI-CRUCUECZSA-N

Computed Properties

Structural Parameters

Heavy atom count
61
Fraction Csp3
0.95
Rotatable bonds
8
H-bond acceptors
17
H-bond donors
9
Molar refractivity
209.64
TPSA
255.91

LogP / Solubility

WLOGP
-0.03
MLOGP
0.05
XLogP3
0.2
Consensus LogP
0.07
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.26
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)
-8.06

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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