[email protected]
CAS 11021-13-9 GINSENOSIDE RB2 molecular structure lightbox
CAS RN: 11021-13-9

GINSENOSIDE RB2

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260627 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251101 25mg / 100mg / 250mg Confirm by inquiry Shanghai, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260619 100mg In stock Shanghai Inquiry
Batchno.20260616 1g In stock Shanghai Inquiry
Batchno.20260410 250mg In stock Shanghai Inquiry
Batchno.20260211 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260429 20mg In stock Inquiry
  • Product code: starshine_CAS11021-13-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

11021-13-9 / (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

NSC308878 | SCHEMBL28918300 | AKOS032962024

Standard CAS: 11021-13-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
11021-13-9
Multi CAS
Yes
Molecular Formula
C53H90O22
Molecular Weight
1079.300000
Exact Mass
1078.592374
SMILES
CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O)O)O)O)C
InChI
InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1
InChIKey
NODILNFGTFIURN-GZPRDHCNSA-N
Synonyms
NSC308878 SCHEMBL28918300 AKOS032962024 .beta.-D-Glucopyranoside, (3.beta.,12.beta.)-20-[(6-O-.alpha.-L-arabinopyranosyl-.beta.-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl2-O-.beta.-D-glucopyranosyl-

Computed Properties

Structural Parameters

Heavy atom count
75
Fraction Csp3
0.96
Rotatable bonds
15
H-bond acceptors
22
H-bond donors
14
Molar refractivity
260.21
TPSA
357.06

LogP / Solubility

WLOGP
-1.56
MLOGP
-1.27
XLogP3
0.3
Consensus LogP
-0.84
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.18
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)
-10.41

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

Customers Also Viewed

Get In Touch

Contact Us