(3,4,5,15,16,17,20,21,22,35,36,37-dodecahydroxy-8,13,25,33-tetraoxo-9,12,26,29,32-pentaoxaheptacyclo[32.3.1.114,18.02,7.010,31.011,28.019,24]nonatriaconta-1(38),2,4,6,14,16,18(39),19,21,23,34,36-dodecaen-30-yl) 2-[[14-[2-[[23-[6-[[3,4,5,19,20,21-hexahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyl)oxy-12-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,13,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-3,4,16,17,18,21,22,36,37,38-decahydroxy-8,13,26,34-tetraoxo-31-(3,4,5-trihydroxybenzoyl)oxy-9,12,27,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,32.011,29.014,19.020,25]nonatriaconta-1(39),2,4,6,14,16,18,20,22,24,35,37-dodecaen-5-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,21,22-pentahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(18),2,4,6,19,21-hexaen-20-yl]methoxy]-3,4,5-trihydroxybenzoate

C165H112O104 — CID 89211981

About (3,4,5,15,16,17,20,21,22,35,36,37-dodecahydroxy-8,13,25,33-tetraoxo-9,12,26,29,32-pentaoxaheptacyclo[32.3.1.114,18.02,7.010,31.011,28.019,24]nonatriaconta-1(38),2,4,6,14,16,18(39),19,21,23,34,36-dodecaen-30-yl) 2-[[14-[2-[[23-[6-[[3,4,5,19,20,21-hexahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyl)oxy-12-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,13,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-3,4,16,17,18,21,22,36,37,38-decahydroxy-8,13,26,34-tetraoxo-31-(3,4,5-trihydroxybenzoyl)oxy-9,12,27,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,32.011,29.014,19.020,25]nonatriaconta-1(39),2,4,6,14,16,18,20,22,24,35,37-dodecaen-5-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,21,22-pentahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(18),2,4,6,19,21-hexaen-20-yl]methoxy]-3,4,5-trihydroxybenzoate

(3,4,5,15,16,17,20,21,22,35,36,37-dodecahydroxy-8,13,25,33-tetraoxo-9,12,26,29,32-pentaoxaheptacyclo[32.3.1.114,18.02,7.010,31.011,28.019,24]nonatriaconta-1(38),2,4,6,14,16,18(39),19,21,23,34,36-dodecaen-30-yl) 2-[[14-[2-[[23-[6-[[3,4,5,19,20,21-hexahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyl)oxy-12-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,13,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-3,4,16,17,18,21,22,36,37,38-decahydroxy-8,13,26,34-tetraoxo-31-(3,4,5-trihydroxybenzoyl)oxy-9,12,27,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,32.011,29.014,19.020,25]nonatriaconta-1(39),2,4,6,14,16,18,20,22,24,35,37-dodecaen-5-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,21,22-pentahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(18),2,4,6,19,21-hexaen-20-yl]methoxy]-3,4,5-trihydroxybenzoate (PubChem CID 89211981) has the molecular formula C165H112O104 and a molecular weight of 3758.61 g/mol. Its IUPAC name is (3,4,5,15,16,17,20,21,22,35,36,37-dodecahydroxy-8,13,25,33-tetraoxo-9,12,26,29,32-pentaoxaheptacyclo[32.3.1.114,18.02,7.010,31.011,28.019,24]nonatriaconta-1(38),2,4,6,14,16,18(39),19,21,23,34,36-dodecaen-30-yl) 2-[[14-[2-[[23-[6-[[3,4,5,19,20,21-hexahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyl)oxy-12-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,13,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-3,4,16,17,18,21,22,36,37,38-decahydroxy-8,13,26,34-tetraoxo-31-(3,4,5-trihydroxybenzoyl)oxy-9,12,27,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,32.011,29.014,19.020,25]nonatriaconta-1(39),2,4,6,14,16,18,20,22,24,35,37-dodecaen-5-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,21,22-pentahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(18),2,4,6,19,21-hexaen-20-yl]methoxy]-3,4,5-trihydroxybenzoate.

Molecular Properties

• Compound Name: (3,4,5,15,16,17,20,21,22,35,36,37-dodecahydroxy-8,13,25,33-tetraoxo-9,12,26,29,32-pentaoxaheptacyclo[32.3.1.114,18.02,7.010,31.011,28.019,24]nonatriaconta-1(38),2,4,6,14,16,18(39),19,21,23,34,36-dodecaen-30-yl) 2-[[14-[2-[[23-[6-[[3,4,5,19,20,21-hexahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyl)oxy-12-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,13,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-3,4,16,17,18,21,22,36,37,38-decahydroxy-8,13,26,34-tetraoxo-31-(3,4,5-trihydroxybenzoyl)oxy-9,12,27,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,32.011,29.014,19.020,25]nonatriaconta-1(39),2,4,6,14,16,18,20,22,24,35,37-dodecaen-5-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,21,22-pentahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(18),2,4,6,19,21-hexaen-20-yl]methoxy]-3,4,5-trihydroxybenzoate
• PubChem CID: 89211981
• Molecular Formula: C165H112O104
• Molecular Weight: 3758.61 g/mol
• Exact Mass: 3756.35
• IUPAC Name: (3,4,5,15,16,17,20,21,22,35,36,37-dodecahydroxy-8,13,25,33-tetraoxo-9,12,26,29,32-pentaoxaheptacyclo[32.3.1.114,18.02,7.010,31.011,28.019,24]nonatriaconta-1(38),2,4,6,14,16,18(39),19,21,23,34,36-dodecaen-30-yl) 2-[[14-[2-[[23-[6-[[3,4,5,19,20,21-hexahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyl)oxy-12-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,13,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-3,4,16,17,18,21,22,36,37,38-decahydroxy-8,13,26,34-tetraoxo-31-(3,4,5-trihydroxybenzoyl)oxy-9,12,27,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,32.011,29.014,19.020,25]nonatriaconta-1(39),2,4,6,14,16,18,20,22,24,35,37-dodecaen-5-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,21,22-pentahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(18),2,4,6,19,21-hexaen-20-yl]methoxy]-3,4,5-trihydroxybenzoate
• SMILES: O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(O)c2)C2OC(=O)c3cc(c(O)c(O)c3O)-c3c(cc(O)c(O)c3O)C(=O)OC2C1OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)C(=O)OC1C(COC2=O)OC(OC(=O)c2cc(O)c(O)c(O)c2)C2OC(=O)c3cc(c(O)c(O)c3O)-c3c(cc(Oc4c(C(=O)OC5C(COC(=O)c6cc(O)c(O)c(O)c6)OC(OC(=O)c6cc(O)c(O)c(O)c6)C6OC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(COc8c(C(=O)OC9OC%10COC(=O)c%11cc(O)c(O)c(O)c%11-c%11cc(c(O)c(O)c%11O)C(=O)OC%10C%10OC(=O)c%11cc(O)c(O)c(O)c%11-c%11cc(c(O)c(O)c%11O)C(=O)OC9%10)cc(O)c(O)c8O)c(O)c7O)C(=O)OC56)cc(O)c(O)c4O)c(O)c3O)C(=O)OC12)c1cc(O)c(O)c(O)c1
• InChI: InChI=1S/C165H112O104/c166-56-2-31(3-57(167)97(56)193)142(223)244-27-76-132(136-138(162(250-76)266-144(225)33-6-60(170)99(195)61(171)7-33)262-153(234)46-20-70(180)105(201)117(213)85(46)84-41(149(230)258-136)1-36(88(184)116(84)212)26-243-127-53(21-71(181)107(203)124(127)220)161(242)269-165-141-135(259-150(231)43-17-67(177)103(199)113(209)81(43)39-14-51(158(239)265-141)95(191)122(218)91(39)187)131-79(253-165)29-246-147(228)42-16-66(176)102(198)112(208)80(42)37-12-49(155(236)255-131)93(189)120(216)89(37)185)256-159(240)54-22-72(182)108(204)125(221)128(54)248-74-24-47-83(115(211)110(74)206)40-15-52(96(192)123(219)92(40)188)157(238)263-139-134(261-154(47)235)130-78(252-164(139)268-146(227)35-10-64(174)101(197)65(175)11-35)30-247-148(229)48-25-75(111(207)119(215)87(48)86-45(152(233)254-130)19-69(179)106(202)118(86)214)249-129-55(23-73(183)109(205)126(129)222)160(241)257-133-77(28-245-143(224)32-4-58(168)98(194)59(169)5-32)251-163(267-145(226)34-8-62(172)100(196)63(173)9-34)140-137(133)260-151(232)44-18-68(178)104(200)114(210)82(44)38-13-50(156(237)264-140)94(190)121(217)90(38)186/h1-25,76-79,130-141,162-222H,26-30H2
• InChIKey: OESMBCZJJWMPPP-UHFFFAOYSA-N
• XLogP: 7.61
• TPSA: 1743.72 Ų
• H-Bond Donors: 57
• H-Bond Acceptors: 104
• Rotatable Bonds: 25
• Heavy Atoms: 269
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3758.61
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	57
H-Bond Acceptors ≤ 10	104

Frequently Asked Questions

What is the IUPAC name of (3,4,5,15,16,17,20,21,22,35,36,37-dodecahydroxy-8,13,25,33-tetraoxo-9,12,26,29,32-pentaoxaheptacyclo[32.3.1.114,18.02,7.010,31.011,28.019,24]nonatriaconta-1(38),2,4,6,14,16,18(39),19,21,23,34,36-dodecaen-30-yl) 2-[[14-[2-[[23-[6-[[3,4,5,19,20,21-hexahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyl)oxy-12-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,13,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-3,4,16,17,18,21,22,36,37,38-decahydroxy-8,13,26,34-tetraoxo-31-(3,4,5-trihydroxybenzoyl)oxy-9,12,27,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,32.011,29.014,19.020,25]nonatriaconta-1(39),2,4,6,14,16,18,20,22,24,35,37-dodecaen-5-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,21,22-pentahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(18),2,4,6,19,21-hexaen-20-yl]methoxy]-3,4,5-trihydroxybenzoate?

The IUPAC name of (3,4,5,15,16,17,20,21,22,35,36,37-dodecahydroxy-8,13,25,33-tetraoxo-9,12,26,29,32-pentaoxaheptacyclo[32.3.1.114,18.02,7.010,31.011,28.019,24]nonatriaconta-1(38),2,4,6,14,16,18(39),19,21,23,34,36-dodecaen-30-yl) 2-[[14-[2-[[23-[6-[[3,4,5,19,20,21-hexahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyl)oxy-12-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,13,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-3,4,16,17,18,21,22,36,37,38-decahydroxy-8,13,26,34-tetraoxo-31-(3,4,5-trihydroxybenzoyl)oxy-9,12,27,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,32.011,29.014,19.020,25]nonatriaconta-1(39),2,4,6,14,16,18,20,22,24,35,37-dodecaen-5-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,21,22-pentahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(18),2,4,6,19,21-hexaen-20-yl]methoxy]-3,4,5-trihydroxybenzoate (CID 89211981) is (3,4,5,15,16,17,20,21,22,35,36,37-dodecahydroxy-8,13,25,33-tetraoxo-9,12,26,29,32-pentaoxaheptacyclo[32.3.1.114,18.02,7.010,31.011,28.019,24]nonatriaconta-1(38),2,4,6,14,16,18(39),19,21,23,34,36-dodecaen-30-yl) 2-[[14-[2-[[23-[6-[[3,4,5,19,20,21-hexahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyl)oxy-12-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,13,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-3,4,16,17,18,21,22,36,37,38-decahydroxy-8,13,26,34-tetraoxo-31-(3,4,5-trihydroxybenzoyl)oxy-9,12,27,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,32.011,29.014,19.020,25]nonatriaconta-1(39),2,4,6,14,16,18,20,22,24,35,37-dodecaen-5-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,21,22-pentahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(18),2,4,6,19,21-hexaen-20-yl]methoxy]-3,4,5-trihydroxybenzoate.

What is the SMILES notation for (3,4,5,15,16,17,20,21,22,35,36,37-dodecahydroxy-8,13,25,33-tetraoxo-9,12,26,29,32-pentaoxaheptacyclo[32.3.1.114,18.02,7.010,31.011,28.019,24]nonatriaconta-1(38),2,4,6,14,16,18(39),19,21,23,34,36-dodecaen-30-yl) 2-[[14-[2-[[23-[6-[[3,4,5,19,20,21-hexahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyl)oxy-12-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,13,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-3,4,16,17,18,21,22,36,37,38-decahydroxy-8,13,26,34-tetraoxo-31-(3,4,5-trihydroxybenzoyl)oxy-9,12,27,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,32.011,29.014,19.020,25]nonatriaconta-1(39),2,4,6,14,16,18,20,22,24,35,37-dodecaen-5-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,21,22-pentahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(18),2,4,6,19,21-hexaen-20-yl]methoxy]-3,4,5-trihydroxybenzoate?

The canonical SMILES for (3,4,5,15,16,17,20,21,22,35,36,37-dodecahydroxy-8,13,25,33-tetraoxo-9,12,26,29,32-pentaoxaheptacyclo[32.3.1.114,18.02,7.010,31.011,28.019,24]nonatriaconta-1(38),2,4,6,14,16,18(39),19,21,23,34,36-dodecaen-30-yl) 2-[[14-[2-[[23-[6-[[3,4,5,19,20,21-hexahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyl)oxy-12-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,13,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-3,4,16,17,18,21,22,36,37,38-decahydroxy-8,13,26,34-tetraoxo-31-(3,4,5-trihydroxybenzoyl)oxy-9,12,27,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,32.011,29.014,19.020,25]nonatriaconta-1(39),2,4,6,14,16,18,20,22,24,35,37-dodecaen-5-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,21,22-pentahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(18),2,4,6,19,21-hexaen-20-yl]methoxy]-3,4,5-trihydroxybenzoate is O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(O)c2)C2OC(=O)c3cc(c(O)c(O)c3O)-c3c(cc(O)c(O)c3O)C(=O)OC2C1OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)C(=O)OC1C(COC2=O)OC(OC(=O)c2cc(O)c(O)c(O)c2)C2OC(=O)c3cc(c(O)c(O)c3O)-c3c(cc(Oc4c(C(=O)OC5C(COC(=O)c6cc(O)c(O)c(O)c6)OC(OC(=O)c6cc(O)c(O)c(O)c6)C6OC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(COc8c(C(=O)OC9OC%10COC(=O)c%11cc(O)c(O)c(O)c%11-c%11cc(c(O)c(O)c%11O)C(=O)OC%10C%10OC(=O)c%11cc(O)c(O)c(O)c%11-c%11cc(c(O)c(O)c%11O)C(=O)OC9%10)cc(O)c(O)c8O)c(O)c7O)C(=O)OC56)cc(O)c(O)c4O)c(O)c3O)C(=O)OC12)c1cc(O)c(O)c(O)c1.

What is the InChIKey of (3,4,5,15,16,17,20,21,22,35,36,37-dodecahydroxy-8,13,25,33-tetraoxo-9,12,26,29,32-pentaoxaheptacyclo[32.3.1.114,18.02,7.010,31.011,28.019,24]nonatriaconta-1(38),2,4,6,14,16,18(39),19,21,23,34,36-dodecaen-30-yl) 2-[[14-[2-[[23-[6-[[3,4,5,19,20,21-hexahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyl)oxy-12-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,13,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-3,4,16,17,18,21,22,36,37,38-decahydroxy-8,13,26,34-tetraoxo-31-(3,4,5-trihydroxybenzoyl)oxy-9,12,27,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,32.011,29.014,19.020,25]nonatriaconta-1(39),2,4,6,14,16,18,20,22,24,35,37-dodecaen-5-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,21,22-pentahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(18),2,4,6,19,21-hexaen-20-yl]methoxy]-3,4,5-trihydroxybenzoate?

The InChIKey is OESMBCZJJWMPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C165H112O104/c166-56-2-31(3-57(167)97(56)193)142(223)244-27-76-132(136-138(162(250-76)266-144(225)33-6-60(170)99(195)61(171)7-33)262-153(234)46-20-70(180)105(201)117(213)85(46)84-41(149(230)258-136)1-36(88(184)116(84)212)26-243-127-53(21-71(181)107(203)124(127)220)161(242)269-165-141-135(259-150(231)43-17-67(177)103(199)113(209)81(43)39-14-51(158(239)265-141)95(191)122(218)91(39)187)131-79(253-165)29-246-147(228)42-16-66(176)102(198)112(208)80(42)37-12-49(155(236)255-131)93(189)120(216)89(37)185)256-159(240)54-22-72(182)108(204)125(221)128(54)248-74-24-47-83(115(211)110(74)206)40-15-52(96(192)123(219)92(40)188)157(238)263-139-134(261-154(47)235)130-78(252-164(139)268-146(227)35-10-64(174)101(197)65(175)11-35)30-247-148(229)48-25-75(111(207)119(215)87(48)86-45(152(233)254-130)19-69(179)106(202)118(86)214)249-129-55(23-73(183)109(205)126(129)222)160(241)257-133-77(28-245-143(224)32-4-58(168)98(194)59(169)5-32)251-163(267-145(226)34-8-62(172)100(196)63(173)9-34)140-137(133)260-151(232)44-18-68(178)104(200)114(210)82(44)38-13-50(156(237)264-140)94(190)121(217)90(38)186/h1-25,76-79,130-141,162-222H,26-30H2.

What are the key properties of (3,4,5,15,16,17,20,21,22,35,36,37-dodecahydroxy-8,13,25,33-tetraoxo-9,12,26,29,32-pentaoxaheptacyclo[32.3.1.114,18.02,7.010,31.011,28.019,24]nonatriaconta-1(38),2,4,6,14,16,18(39),19,21,23,34,36-dodecaen-30-yl) 2-[[14-[2-[[23-[6-[[3,4,5,19,20,21-hexahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyl)oxy-12-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,13,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-3,4,16,17,18,21,22,36,37,38-decahydroxy-8,13,26,34-tetraoxo-31-(3,4,5-trihydroxybenzoyl)oxy-9,12,27,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,32.011,29.014,19.020,25]nonatriaconta-1(39),2,4,6,14,16,18,20,22,24,35,37-dodecaen-5-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,21,22-pentahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(18),2,4,6,19,21-hexaen-20-yl]methoxy]-3,4,5-trihydroxybenzoate?

(3,4,5,15,16,17,20,21,22,35,36,37-dodecahydroxy-8,13,25,33-tetraoxo-9,12,26,29,32-pentaoxaheptacyclo[32.3.1.114,18.02,7.010,31.011,28.019,24]nonatriaconta-1(38),2,4,6,14,16,18(39),19,21,23,34,36-dodecaen-30-yl) 2-[[14-[2-[[23-[6-[[3,4,5,19,20,21-hexahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyl)oxy-12-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,13,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-3,4,16,17,18,21,22,36,37,38-decahydroxy-8,13,26,34-tetraoxo-31-(3,4,5-trihydroxybenzoyl)oxy-9,12,27,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,32.011,29.014,19.020,25]nonatriaconta-1(39),2,4,6,14,16,18,20,22,24,35,37-dodecaen-5-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,21,22-pentahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(18),2,4,6,19,21-hexaen-20-yl]methoxy]-3,4,5-trihydroxybenzoate has a molecular weight of 3758.61 g/mol, XLogP of 7.61, 25 rotatable bonds, 57 hydrogen bond donors, and 104 hydrogen bond acceptors.

Where does this data come from?

All data for (3,4,5,15,16,17,20,21,22,35,36,37-dodecahydroxy-8,13,25,33-tetraoxo-9,12,26,29,32-pentaoxaheptacyclo[32.3.1.114,18.02,7.010,31.011,28.019,24]nonatriaconta-1(38),2,4,6,14,16,18(39),19,21,23,34,36-dodecaen-30-yl) 2-[[14-[2-[[23-[6-[[3,4,5,19,20,21-hexahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyl)oxy-12-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,13,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-3,4,16,17,18,21,22,36,37,38-decahydroxy-8,13,26,34-tetraoxo-31-(3,4,5-trihydroxybenzoyl)oxy-9,12,27,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,32.011,29.014,19.020,25]nonatriaconta-1(39),2,4,6,14,16,18,20,22,24,35,37-dodecaen-5-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,21,22-pentahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(18),2,4,6,19,21-hexaen-20-yl]methoxy]-3,4,5-trihydroxybenzoate is sourced from PubChem (CID 89211981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).