PIEFELTARRAENIN A

The Picfeltarraenin IA, with CAS registry number 97230-47-2, has the systematic name of (2R)-2-[(3R,8S,9R,10R,13R,14S,16R)-3-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-isopropyl-2-methyl-furan-3-one. And the chemical formula of this chemical is C₄₁H₆₂O₁₃.

Physical properties of Picfeltarraenin IA: (1)ACD/LogP: 5.43; (2)# of Rule of 5 Violations: 4; (3)#H bond acceptors: 13; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 12; (6)Polar Surface Area: 135.67 Å²; (7)Index of Refraction: 1.601; (8)Molar Refractivity: 194.82 cm³; (9)Molar Volume: 568.2 cm³; (10)Polarizability: 77.23×10^-24cm³; (11)Surface Tension: 62.6 dyne/cm; (12)Enthalpy of Vaporization: 142.3 kJ/mol; (13)Vapour Pressure: 1.34E-34 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4C(=CCC5C4(C(=O)CC6(C5(CC(C6C7(C(=O)C=C(O7)C(C)C)C)O)C)C)C)C3(C)C)O)O)O)O)O
(2)InChI: InChI=1/C41H62O13/c1-18(2)24-14-26(44)41(9,54-24)34-22(42)15-38(6)25-12-10-20-21(40(25,8)27(45)16-39(34,38)7)11-13-28(37(20,4)5)52-36-33(30(47)23(43)17-50-36)53-35-32(49)31(48)29(46)19(3)51-35/h10,14,18-19,21-23,25,28-36,42-43,46-49H,11-13,15-17H2,1-9H3/t19?,21-,22-,23?,25+,28-,29?,30?,31?,32?,33?,34?,35?,36?,38+,39-,40+,41+/m1/s1
(3)InChIKey: WPXIIGGPWPYUSJ-YNOTVBMGBX
(4)Std. InChI: InChI=1S/C41H62O13/c1-18(2)24-14-26(44)41(9,54-24)34-22(42)15-38(6)25-12-10-20-21(40(25,8)27(45)16-39(34,38)7)11-13-28(37(20,4)5)52-36-33(30(47)23(43)17-50-36)53-35-32(49)31(48)29(46)19(3)51-35/h10,14,18-19,21-23,25,28-36,42-43,46-49H,11-13,15-17H2,1-9H3/t19?,21-,22-,23?,25+,28-,29?,30?,31?,32?,33?,34?,35?,36?,38+,39-,40+,41+/m1/s1
(5)Std. InChIKey: WPXIIGGPWPYUSJ-YNOTVBMGSA-N