D-Glucopyranosiduronicacid, (3b,4a)-23,28-dioxo-28-[(O-D-xylopyranosyl-(1®3)-O-6-deoxy-D-galactopyranosyl-(1®4)-O-[O-D-xylopyranosyl-(1®3)-D-xylopyranosyl-(1®2)]-6-deoxy-L-mannopyranosyl)oxy]olean-12-en-3-ylO-L-arabinopyranosyl-(1®3)-O-[O-D-galactopyranosyl-(1®4)-D-glucopyranosyl-(1®4)]- (9CI) (15588-68-8)

The IUPAC name of Gipsoside is 6-[[8a-[5-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid. With the CAS registry number 15588-68-8, it is also named as Gypsoside(7CI). In addition, its molecular formula is C₈₀H₁₂₆O₄₄ and molecular weight is 1791.83.

The other characteristics of Gipsoside can be summarized as: (1)ACD/LogP: 5.47; (2)# of Rule of 5 Violations: 4; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 12.72; (6)ACD/BCF (pH 7.4): 1.66; (7)ACD/KOC (pH 5.5): 33.82; (8) ACD/KOC (pH 7.4): 4.4; (9)H bond acceptors: 44; (10)H bond donors: 23; (11)XLogP3-AA: -8; (12)Rotatable Bond Count: 23; (13)Exact Mass: 1790.762197; (14)MonoIsotopic Mass: 1790.762197; (15)Heavy Atom Count: 124; (16)Complexity: 3670; (17)Freely Rotating Bonds: 45; (18)Polar Surface Area: 429.64 Å²; (19)Index of Refraction: 1.664; (20)Molar Refractivity: 409.88 cm³; (21)Molar Volume: 1104 cm³; (22)Polarizability: 162.48×10^-24cm³; (23)Surface Tension: 97.4 dyne/cm; (24)Density: 1.62 g/cm³.

People can use the following data to convert to the molecule structure.
(1)SMILES:CC1C(C(C(C(O1)OC2C(OC(C(C2O)OC3C(C(C(CO3)O)OC4C(C(C(CO4)O)O)O)O)OC(=O)C56CCC(CC5C7=CCC8C9(CCC(C(C9CCC8(C7(CC6)C)C)(C)C=O)OC1C(C(C(C(O1)C(=O)O)OC1C(C(C(C(O1)CO)OC1C(C(C(C(O1)CO)O)O)O)O)O)OC1C(C(C(CO1)O)O)O)O)C)(C)C)C)O)OC1C(C(C(CO1)O)O)O)O
(2)InChI:InChI=1/C80H126O44/c1-27-40(88)59(119-66-48(96)42(90)32(85)23-108-66)54(102)71(111-27)116-56-28(2)112-73(61(52(56)100)121-68-53(101)57(34(87)25-110-68)117-65-47(95)41(89)31(84)22-107-65)124-74(106)80-17-15-75(3,4)19-30(80)29-9-10-38-76(5)13-12-39(77(6,26-83)37(76)11-14-79(38,8)78(29,7)16-18-80)115-72-55(103)60(120-67-49(97)43(91)33(86)24-109-67)62(63(123-72)64(104)105)122-70-51(99)46(94)58(36(21-82)114-70)118-69-50(98)45(93)44(92)35(20-81)113-69/h9,26-28,30-63,65-73,81-82,84-103H,10-25H2,1-8H3,(H,104,105)

The toxicity data is as follows: