Phaseoloside D
TL;DR: Phaseoloside D (CAS 30937-16-7) is a chemical compound with molecular formula C65H104O31 and molecular weight 1380.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[5-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-[[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,9,10,12,12a,14,14a-dodecahydropicen-3-yl]oxy]oxane-2-carboxylic acid
Also Known As: Phaseoloside D, 4-[3-[5-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-[[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,9,10,12,12a,14,14a-dodecahydropicen-3-yl]oxy]oxane-2-carboxylic acid, I(2)-D-Glucopyranosiduronic acid, (3I(2))-23-hydroxyoleana-12,15-dien-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a6)-O-[I+/--D-galactopyranosyl-(1a2)]-O-I(2)-D-glucopyranosyl-(1a4)-O-I+/--D-galactopyranosyl-(1a2)-O-I+/--L-arabinopyranosyl-(1a3)-
| Molecular Formula | C65H104O31 |
|---|---|
| Molecular Weight | 1380.66 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 492.0 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 17 |
| Exact Mass | 1380.6561 |
| Heavy Atoms | 96 |
| Complexity | 2750.0 |
Chemical Identifiers
| CAS Number | 30937-16-7 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)OC4C(C(COC4OC5C(C(OC(C5O)OC6CCC7(C(C6(C)CO)CCC8(C7CC=C9C8(C=CC1(C9CC(CC1)(C)C)C)C)C)C)C(=O)O)O)O)O)CO)OC1C(C(C(C(O1)CO)O)O)O)O)O)O)O)O |
| InChIKey | CVMFAOXHGIFMQV-UHFFFAOYSA-N |
Product Overview
Phaseoloside D (CAS 30937-16-7), with molecular formula C65H104O31 and molecular weight 1380.66 g/mol. IUPAC: 4-[3-[5-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-[[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,9,10,12,12a,14,14a-dodecahydropicen-3-yl]oxy]oxane-2-carboxylic acid.
Chemical Property Profile of Phaseoloside D
Property Insights of Phaseoloside D
The XLogP value of -2.2 indicates that Phaseoloside D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 492.0 Ų indicates high polarity, suggesting Phaseoloside D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phaseoloside D has 18 hydrogen bond donor(s) and 31 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phaseoloside D?
The CAS number of Phaseoloside D is 30937-16-7.
What is the molecular formula of Phaseoloside D?
The molecular formula of Phaseoloside D is C65H104O31.
What is the molecular weight of Phaseoloside D?
The molecular weight of Phaseoloside D is 1380.66 g/mol.
Where can I buy Phaseoloside D?
You can request a quote for Phaseoloside D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phaseoloside D?
Yes, KEHONG BIO provides custom synthesis services for Phaseoloside D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.