报春花皂苷
TL;DR: 报春花皂苷 (CAS 31660-87-4) is a chemical compound with molecular formula C54H90O22 and molecular weight 1090.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
报春花皂苷
2-[4-hydroxy-2-[[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Primulasaponin, 2-[4-hydroxy-2-[[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol, I(2)-D-Galactopyranoside, (3I(2),16I+/-)-16,28-dihydroxyolean-12-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[O-I(2)-D-glucopyranosyl-(1a6)-I(2)-D-galactopyranosyl-(1a4)]-
| Molecular Formula | C54H90O22 |
|---|---|
| Molecular Weight | 1090.59 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 357.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Exact Mass | 1090.5924 |
| Heavy Atoms | 76 |
| Complexity | 2050.0 |
Chemical Identifiers
| CAS Number | 31660-87-4 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CC(C7(C6CC(CC7)(C)C)CO)O)C)C)C)CO)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)O)O)O)O |
| InChIKey | XRVAIZXSTVHRLJ-UHFFFAOYSA-N |
Product Overview
报春花皂苷 (CAS 31660-87-4), with molecular formula C54H90O22 and molecular weight 1090.59 g/mol. IUPAC: 2-[4-hydroxy-2-[[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of 报春花皂苷
Property Insights of 报春花皂苷
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 报春花皂苷. The TPSA of 357.0 Ų indicates high polarity, suggesting 报春花皂苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 报春花皂苷 has 14 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 报春花皂苷?
The CAS number of 报春花皂苷 is 31660-87-4.
What is the molecular formula of 报春花皂苷?
The molecular formula of 报春花皂苷 is C54H90O22.
What is the molecular weight of 报春花皂苷?
The molecular weight of 报春花皂苷 is 1090.59 g/mol.
Where can I buy 报春花皂苷?
You can request a quote for 报春花皂苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 报春花皂苷?
Yes, KEHONG BIO provides custom synthesis services for 报春花皂苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.