Basic Information | Post buying leads | Suppliers |
Name |
Tigonin |
EINECS | 215-529-4 |
CAS No. | 1329-83-5 | Density | 1.54g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C56H92O27 | Boiling Point | N/A |
Molecular Weight | 1197.3135 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Tigonin; (5alpha,8xi,9xi,10xi,13xi,16xi,17xi,25R)-spirostan; (3beta,5alpha,25R)-spirostan-3-yl beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside |
The Tigonin, with CAS registry number 1329-83-5, has the systematic name of (3β,5α,25R)-spirostan-3-yl β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside. And the chemical formula of this chemical is C56H92O27. What's more, its EINECS is 215-529-4.
Physical properties of Tigonin: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 27; (4)#H bond donors: 15; (5)#Freely Rotating Bonds: 29; (6)Polar Surface Area: 249.21 Å2; (7)Index of Refraction: 1.645; (8)Molar Refractivity: 282.12 cm3; (9)Molar Volume: 777.2 cm3; (10)Polarizability: 111.84×10-24cm3; (11)Surface Tension: 86.4 dyne/cm; (12)Density: 1.54 g/cm3.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C27H44O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h17-24H,5-16H2,1-4H3/t17-,18+,19-,20?,21?,22+,23?,24?,25?,26?,27-/m1/s1
(2)SMILES: C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5CCCC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@@H]2C