Tellimagrandin I
TL;DR: Tellimagrandin I (CAS 79786-08-6) is a chemical compound with molecular formula C34H26O22 and molecular weight 786.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R)-1-[(10R,11R)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-3-oxo-1-(3,4,5-trihydroxybenzoyl)oxypropan-2-yl] 3,4,5-trihydroxybenzoate
Also Known As: Tellimagrandin I, Tellimagradin I, KST-1A8502, SID:53788523, (1s,2r)-1-[(7r,8r)-1,2,3,8,13,14,15-heptahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7h-dibenzo[g,i][1,5]dioxacycloundecin-7-yl]-3-oxopropane-1,2-diyl bis(3,4,5-trihydroxybenzoate)
| Molecular Formula | C34H26O22 |
|---|---|
| Molecular Weight | 786.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 385.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 9 |
| Exact Mass | 786.09155 |
| Heavy Atoms | 56 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 79786-08-6 |
|---|---|
| SMILES | C1[C@H]([C@@H](OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)[C@@H]([C@H](C=O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O |
| InChIKey | XUZYVFYOPRXTRB-GBJTXXJHSA-N |
Product Overview
Tellimagrandin I (CAS 79786-08-6), with molecular formula C34H26O22 and molecular weight 786.09 g/mol. IUPAC: [(1S,2R)-1-[(10R,11R)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-3-oxo-1-(3,4,5-trihydroxybenzoyl)oxypropan-2-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Tellimagrandin I
Property Insights of Tellimagrandin I
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tellimagrandin I. The TPSA of 385.0 Ų indicates high polarity, suggesting Tellimagrandin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tellimagrandin I has 13 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tellimagrandin I?
The CAS number of Tellimagrandin I is 79786-08-6.
What is the molecular formula of Tellimagrandin I?
The molecular formula of Tellimagrandin I is C34H26O22.
What is the molecular weight of Tellimagrandin I?
The molecular weight of Tellimagrandin I is 786.09 g/mol.
Where can I buy Tellimagrandin I?
You can request a quote for Tellimagrandin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tellimagrandin I?
Yes, KEHONG BIO provides custom synthesis services for Tellimagrandin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.