CAS No.83207-58-3,Astragaloside A Suppliers

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Basic Information

Molecular Structure:
CAS No.:	83207-58-3
Name:	Astragaloside A
Article Data:	7

Formula:	C₄₁H₆₈O₁₄
Molecular Weight:	784.983
Synonyms:	(3β,6α,9β,16β,20R,24S)-16,25-Dihydroxy-3-(β-D-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-yl β-D-threo-hexopyranoside;AstramembranninI;
Density:	1.395 g/cm³
Melting Point:	284-286oC
Boiling Point:	895.666 °C at 760 mmHg
Flash Point:	495.481 °C
Appearance:	white powder
PSA:	228.22000
LogP:	0.72410

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Specification

The Astragaloside A, with the CAS registry number 83207-58-3, is also known as Astragaloside IV. This chemical's molecular formula is C₄₁H₆₈O₁₄ and molecular weight is 784.97. What's more, its systematic name is called (3β,6α,9β,16β,20R,24S)-16,25-Dihydroxy-3-(β-D-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-yl β-D-threo-hexopyranoside.

Physical properties about Astragaloside A are: (1)ACD/LogP: 0.628; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 1.77; (6)ACD/BCF (pH 7.4): 1.77; (7)ACD/KOC (pH 5.5): 52.25; (8)ACD/KOC (pH 7.4): 52.25; (9)#H bond acceptors: 14; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 228.22 Å²; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 197.787 cm³; (15)Molar Volume: 562.577 cm³; (16)Polarizability: 78.409×10^-24 cm³; (17)Surface Tension: 70.99 dyne/cm; (18)Density: 1.395 g/cm³; (19)Flash Point: 495.481 °C; (20)Enthalpy of Vaporization: 147.846 kJ/mol; (21)Boiling Point: 895.666 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C

You can still convert the following datas into molecular structure:
(1) SMILES: OC8[C@@H](O)C(O)[C@H](O[C@H]8O[C@H]5C[C@H]3[C@]2([C@]([C@@H]([C@@]1(O[C@@H](CC1)C(O)(C)C)C)[C@@H](O)C2)(C)CC[C@]37C[C@]67CC[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]56)C)CO
(2) InChI: InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24-,25-,26-,27?,28-,29+,30?,31-,32-,33-,34+,37+,38-,39+,40-,41+/m0/s1
(3) InChIKey: QMNWISYXSJWHRY-XZFBGSIGSA-N