[email protected]
CAS 1078708-72-1 Onjisaponin Z molecular structure lightbox
CAS RN: 1078708-72-1

Onjisaponin Z

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250212 5mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250117 1mg Out of stock Inquiry
  • Product code: starshine_CAS1078708-72-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1078708-72-1 / (2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

Onjisaponin Z | orb1684360 | HY-N4325

Standard CAS: 1078708-72-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1078708-72-1
Multi CAS
Yes
Molecular Formula
C71H106O32
Molecular Weight
1471.600000
Exact Mass
1470.666721
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)OC(=O)[C@@]56CC[C@@]7(C(=CC[C@H]8[C@]7(CC[C@@H]9[C@@]8(C[C@@H]([C@@H]([C@@]9(C)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)C)[C@@H]5CC(CC6)(C)C)CO)C)OC(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC)O)O)O
InChI
InChI=1S/C71H106O32/c1-29-43(77)46(80)50(84)60(94-29)100-56-54(98-42(76)15-12-32-22-37(90-9)55(92-11)38(23-32)91-10)31(3)96-63(57(56)101-61-52(86)48(82)53(30(2)95-61)99-59-49(83)44(78)36(75)27-93-59)103-65(89)70-19-18-66(4,5)24-34(70)33-13-14-40-67(6)25-35(74)58(102-62-51(85)47(81)45(79)39(26-72)97-62)69(8,64(87)88)41(67)16-17-68(40,7)71(33,28-73)21-20-70/h12-13,15,22-23,29-31,34-36,39-41,43-54,56-63,72-75,77-86H,14,16-21,24-28H2,1-11H3,(H,87,88)/b15-12+/t29-,30-,31+,34-,35-,36+,39+,40+,41+,43-,44-,45+,46+,47-,48-,49+,50+,51+,52+,53-,54-,56-,57+,58-,59-,60-,61-,62-,63-,67+,68+,69-,70-,71-/m0/s1
InChIKey
BZKDCAIDWFPAGZ-ZZVFPCDUSA-N
Synonyms
Onjisaponin Z orb1684360 HY-N4325 AKOS040760608 DA-56450

Computed Properties

Structural Parameters

Heavy atom count
103
Aromatic heavy atom count
6
Fraction Csp3
0.82
Rotatable bonds
19
H-bond acceptors
31
H-bond donors
15
Molar refractivity
348.97
TPSA
483.88

LogP / Solubility

WLOGP
-1.19
MLOGP
-0.9
XLogP3
-0.2
Consensus LogP
-0.76
Log S (ESOL)
-7
Class (ESOL)
Insoluble
Log S (Ali)
-10.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.52
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)
-12.54

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

Get In Touch

Contact Us