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| CAS No.: | 129741-57-7 |
|---|---|
| Name: | PULCHINENOSIDE B4 |
| Molecular Structure: | |
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| Formula: | C59H96O26 |
| Molecular Weight: | 1221.4 |
| Synonyms: | 2)-a-L-arabinopyranosyl]-28-O-[a-L-rhamnopyranosyl-(1?;6)-b-D-glucopyranosyl]-3b,23-dihydroxylup-20(29)-en-28-oic acid;Anemoside B4;Chinensioside A;Pulchinenoside C; |
| Density: | 1.48 g/cm3 |
| Melting Point: | 208-215 °C |
| PSA: | 412.82000 |
| LogP: | -2.68850 |
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Specification
This chemical is called Anemoside B4, and its systematic name is β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-6-deoxy-1-O-[(5ξ,8ξ,9ξ,10ξ,13ξ,17ξ,18ξ,19ξ)-3-{[6-deoxy-2-O-(α-L-lyxopyranosyl)-β-D-allopyranosyl]oxy}-23-hydroxy-28-oxolup-20( 29)-en-28-yl]-β-D-gulopyranose. With the molecular formula of C59H96O26, its molecular weight is 1221.38. The CAS registry number of this chemical is 129741-57-7.
Other characteristics of the Anemoside B4 can be summarised as followings: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 3 ; (3)#H bond acceptors: 26; (4)#H bond donors: 15; (5)#Freely Rotating Bonds: 30; (6)Polar Surface Area: 412.82 Å2; (7)Index of Refraction: 1.634; (8)Molar Refractivity: 294.308 cm3; (9)Molar Volume: 822.969 cm3; (10)Polarizability: 116.673×10-24cm3; (11)Surface Tension: 80.963 dyne/cm; (12)Density: 1.48 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O[C@@H]3O[C@H](C)[C@H](O[C@@H]2O[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]3O)C94CCC(C(=C)\C)C4C%10CCC8C(C)(CCC7C8(C)CCC(O[C@@H]6O[C@H](C)[C@@H](O)[C@ @H](O)[C@H]6O[C@@H]5OC[C@H](O)[C@@H](O)[C@H]5O)[C@@]7(C)CO)[C@]%10(C)CC9
2. InChIKey: GLLKUNUNQNIIJQ-AIUUDWRTBT