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b-D-Glucopyranoside, (3b,12b)-12-hydroxydammar-24-ene-3,20-diyl bis- (62025-49-4)

Identification
Name:b-D-Glucopyranoside, (3b,12b)-12-hydroxydammar-24-ene-3,20-diyl bis-
Synonyms:Dammarane,b-D-glucopyranoside deriv.;Ginsenoside F2;
CAS:62025-49-4
Molecular Formula: C42H72O13
Molecular Weight: 785.01
Molecular Structure: (C42H72O13) Dammarane,b-D-glucopyranoside deriv.;Ginsenoside F2;
Properties
Density:1.303 g/cm3
Specification:

The cas register number of Ginsenoside F2 is 62025-49-4. It also can be called as b-D-Glucopyranoside, (3b,12b)-12-hydroxydammar-24-ene-3,20-diyl bis- and the Systematic name about this chemical is (3β,12β)-20-(β-D-glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl β-D-glucopyranoside. It belongs to the Ginseng series.

Physical properties about Ginsenoside F2 are: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 285; (6)ACD/BCF (pH 7.4): 285; (7)ACD/KOC (pH 5.5): 1987; (8)ACD/KOC (pH 7.4): 1987; (9)#H bond acceptors: 13; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 218.99 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 204.424 cm3; (15)Molar Volume: 602.655 cm3; (16)Polarizability: 81.04x10-24cm3; (17)Surface Tension: 63.767 dyne/cm; (18)Enthalpy of Vaporization: 143.908 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: O([C@@H]3C(C)(C)[C@@H]4CC[C@@]2(C)[C@]5(C)CC[C@H]([C@](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(C)CC\C=C(/C)C)[C@H]5[C@H](O)C[C@@H]2[C@@]4(C)CC3)[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO
(2)InChI: InChI=1/C42H72O13/c1-21(2)10-9-14-42(8,55-37-35(51)33(49)31(47)25(20-44)53-37)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1
(3)InChIKey: SWIROVJVGRGSPO-JBVRGBGGBD
(4)Std. InChI: InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,55-37-35(51)33(49)31(47)25(20-44)53-37)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1
(5)Std. InChIKey: SWIROVJVGRGSPO-JBVRGBGGSA-N

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