[email protected]
CAS 107740-46-5 isorhamnetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside molecular structure lightbox
CAS RN: 107740-46-5

isorhamnetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260418 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS107740-46-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

107740-46-5 / 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

Isorhamnetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside | Isorhamnetin-Rha-Gal | Isorhamnetin 3-O-robinoside

Standard CAS: 107740-46-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
107740-46-5
Multi CAS
Yes
Molecular Formula
C28H32O16
Molecular Weight
624.500000
Exact Mass
624.169035
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O
InChI
InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21+,22-,23+,24+,27+,28-/m0/s1
InChIKey
UIDGLYUNOUKLBM-ZLADREHTSA-N
Synonyms
Isorhamnetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside Isorhamnetin-Rha-Gal Isorhamnetin 3-O-robinoside 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one DTXSID70148226

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
16
Fraction Csp3
0.46
Rotatable bonds
7
H-bond acceptors
16
H-bond donors
9
Molar refractivity
145.08
TPSA
258.43

LogP / Solubility

WLOGP
-1.38
MLOGP
-1.17
XLogP3
-1
Consensus LogP
-1.18
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble

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)
-7.51

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us