[(3aS,6S,7aS)-7-[(2S,3S,5R)-3-acetyloxy-5-[(2S,4S,5S)-3-acetyloxy-4,5-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl] (4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[[2-(4-phenoxyphenyl)acetyl]amino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;(4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[11-(4-phenoxyphenyl)undecanoylamino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;[(2S,4S,5S)-2-[(3R,5S,6S)-6-[[(3aS,7aS)-2,2,4-trimethyl-6-(2,2,2-trichloroethanimidoyl)oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-5-acetyloxy-2,4-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate

C173H254Cl3N3O37 — CID 167688641

About [(3aS,6S,7aS)-7-[(2S,3S,5R)-3-acetyloxy-5-[(2S,4S,5S)-3-acetyloxy-4,5-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl] (4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[[2-(4-phenoxyphenyl)acetyl]amino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;(4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[11-(4-phenoxyphenyl)undecanoylamino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;[(2S,4S,5S)-2-[(3R,5S,6S)-6-[[(3aS,7aS)-2,2,4-trimethyl-6-(2,2,2-trichloroethanimidoyl)oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-5-acetyloxy-2,4-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate

[(3aS,6S,7aS)-7-[(2S,3S,5R)-3-acetyloxy-5-[(2S,4S,5S)-3-acetyloxy-4,5-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl] (4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[[2-(4-phenoxyphenyl)acetyl]amino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;(4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[11-(4-phenoxyphenyl)undecanoylamino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;[(2S,4S,5S)-2-[(3R,5S,6S)-6-[[(3aS,7aS)-2,2,4-trimethyl-6-(2,2,2-trichloroethanimidoyl)oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-5-acetyloxy-2,4-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate (PubChem CID 167688641) has the molecular formula C173H254Cl3N3O37 and a molecular weight of 3074.28 g/mol. Its IUPAC name is [(3aS,6S,7aS)-7-[(2S,3S,5R)-3-acetyloxy-5-[(2S,4S,5S)-3-acetyloxy-4,5-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl] (4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[[2-(4-phenoxyphenyl)acetyl]amino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;(4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[11-(4-phenoxyphenyl)undecanoylamino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;[(2S,4S,5S)-2-[(3R,5S,6S)-6-[[(3aS,7aS)-2,2,4-trimethyl-6-(2,2,2-trichloroethanimidoyl)oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-5-acetyloxy-2,4-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate.

Molecular Properties

• Compound Name: [(3aS,6S,7aS)-7-[(2S,3S,5R)-3-acetyloxy-5-[(2S,4S,5S)-3-acetyloxy-4,5-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl] (4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[[2-(4-phenoxyphenyl)acetyl]amino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;(4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[11-(4-phenoxyphenyl)undecanoylamino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;[(2S,4S,5S)-2-[(3R,5S,6S)-6-[[(3aS,7aS)-2,2,4-trimethyl-6-(2,2,2-trichloroethanimidoyl)oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-5-acetyloxy-2,4-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate
• PubChem CID: 167688641
• Molecular Formula: C173H254Cl3N3O37
• Molecular Weight: 3074.28 g/mol
• Exact Mass: 3070.72
• IUPAC Name: [(3aS,6S,7aS)-7-[(2S,3S,5R)-3-acetyloxy-5-[(2S,4S,5S)-3-acetyloxy-4,5-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl] (4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[[2-(4-phenoxyphenyl)acetyl]amino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;(4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[11-(4-phenoxyphenyl)undecanoylamino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;[(2S,4S,5S)-2-[(3R,5S,6S)-6-[[(3aS,7aS)-2,2,4-trimethyl-6-(2,2,2-trichloroethanimidoyl)oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-5-acetyloxy-2,4-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate
• SMILES: CC(=O)OC1[C@H](O[C@H]2C(C)O[C@@H](OC3[C@H](OC(=O)[C@]45CCC(C)(C)CC4C4=CCC6C7(C)CC[C@H](O[C@@H]8OC(CNC(=O)Cc9ccc(Oc%10ccccc%10)cc9)[C@@H](C)[C@H](C)C8C)C(C)(C=O)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5C)OC(C)[C@@H]4OC(C)(C)O[C@H]34)[C@@H](OC(C)=O)C2C)OC[C@@H](C)[C@@H]1C.CC1[C@H](O[C@H]2CCC3(C)C4CC=C5C6CC(C)(C)CC[C@]6(C(=O)O)C(C)C[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C=O)OC(CNC(=O)CCCCCCCCCCc2ccc(Oc3ccccc3)cc2)[C@@H](C)[C@@H]1C.[H]/N=C(/OC1OC(C)[C@@H]2OC(C)(C)O[C@@H]2C1O[C@@H]1OC(C)[C@H](O[C@@H]2OC[C@@H](C)[C@H](C)C2OC(C)=O)C(C)[C@@H]1OC(C)=O)C(Cl)(Cl)Cl
• InChI: InChI=1S/C81H117NO18.C63H93NO7.C29H44Cl3NO12/c1-43-41-88-71(65(45(43)3)91-52(10)84)96-64-49(7)66(92-53(11)85)72(89-50(64)8)97-69-68-67(99-76(14,15)100-68)51(9)90-73(69)98-74(87)81-36-35-75(12,13)39-58(81)57-29-30-61-77(16)33-32-62(78(17,42-83)60(77)31-34-79(61,18)80(57,19)38-44(81)2)95-70-48(6)46(4)47(5)59(94-70)40-82-63(86)37-54-25-27-56(28-26-54)93-55-23-21-20-22-24-55;1-42-38-62(10)49(50-39-58(5,6)36-37-63(42,50)57(67)68)30-31-53-59(7)34-33-54(60(8,41-65)52(59)32-35-61(53,62)9)71-56-45(4)43(2)44(3)51(70-56)40-64-55(66)25-21-16-14-12-11-13-15-18-22-46-26-28-48(29-27-46)69-47-23-19-17-20-24-47;1-11-10-36-24(19(12(11)2)39-16(6)34)41-18-13(3)20(40-17(7)35)25(37-14(18)4)42-23-22-21(44-28(8,9)45-22)15(5)38-26(23)43-27(33)29(30,31)32/h20-29,42-51,58-62,64-73H,30-41H2,1-19H3,(H,82,86);17,19-20,23-24,26-30,41-45,50-54,56H,11-16,18,21-22,25,31-40H2,1-10H3,(H,64,66)(H,67,68);11-15,18-26,33H,10H2,1-9H3/b;;33-27+/t43-,44?,45+,46+,47+,48?,49?,50?,51?,58?,59?,60-,61?,62+,64-,65?,66+,67+,68+,69?,70+,71+,72+,73+,77?,78?,79-,80-,81+;42?,43-,44-,45?,50?,51?,52+,53?,54-,56-,59?,60?,61+,62+,63-;11-,12+,13?,14?,15?,18-,19?,20+,21+,22+,23?,24+,25+,26?/m101/s1
• InChIKey: WPBOAJRZZCGBOY-OFMOVMQJSA-N
• XLogP: 33.07
• TPSA: 478.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 43
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3074.28
LogP ≤ 5	33.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of [(3aS,6S,7aS)-7-[(2S,3S,5R)-3-acetyloxy-5-[(2S,4S,5S)-3-acetyloxy-4,5-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl] (4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[[2-(4-phenoxyphenyl)acetyl]amino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;(4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[11-(4-phenoxyphenyl)undecanoylamino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;[(2S,4S,5S)-2-[(3R,5S,6S)-6-[[(3aS,7aS)-2,2,4-trimethyl-6-(2,2,2-trichloroethanimidoyl)oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-5-acetyloxy-2,4-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate?

The IUPAC name of [(3aS,6S,7aS)-7-[(2S,3S,5R)-3-acetyloxy-5-[(2S,4S,5S)-3-acetyloxy-4,5-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl] (4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[[2-(4-phenoxyphenyl)acetyl]amino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;(4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[11-(4-phenoxyphenyl)undecanoylamino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;[(2S,4S,5S)-2-[(3R,5S,6S)-6-[[(3aS,7aS)-2,2,4-trimethyl-6-(2,2,2-trichloroethanimidoyl)oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-5-acetyloxy-2,4-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate (CID 167688641) is [(3aS,6S,7aS)-7-[(2S,3S,5R)-3-acetyloxy-5-[(2S,4S,5S)-3-acetyloxy-4,5-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl] (4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[[2-(4-phenoxyphenyl)acetyl]amino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;(4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[11-(4-phenoxyphenyl)undecanoylamino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;[(2S,4S,5S)-2-[(3R,5S,6S)-6-[[(3aS,7aS)-2,2,4-trimethyl-6-(2,2,2-trichloroethanimidoyl)oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-5-acetyloxy-2,4-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate.

What is the SMILES notation for [(3aS,6S,7aS)-7-[(2S,3S,5R)-3-acetyloxy-5-[(2S,4S,5S)-3-acetyloxy-4,5-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl] (4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[[2-(4-phenoxyphenyl)acetyl]amino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;(4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[11-(4-phenoxyphenyl)undecanoylamino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;[(2S,4S,5S)-2-[(3R,5S,6S)-6-[[(3aS,7aS)-2,2,4-trimethyl-6-(2,2,2-trichloroethanimidoyl)oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-5-acetyloxy-2,4-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate?

The canonical SMILES for [(3aS,6S,7aS)-7-[(2S,3S,5R)-3-acetyloxy-5-[(2S,4S,5S)-3-acetyloxy-4,5-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl] (4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[[2-(4-phenoxyphenyl)acetyl]amino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;(4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[11-(4-phenoxyphenyl)undecanoylamino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;[(2S,4S,5S)-2-[(3R,5S,6S)-6-[[(3aS,7aS)-2,2,4-trimethyl-6-(2,2,2-trichloroethanimidoyl)oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-5-acetyloxy-2,4-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate is CC(=O)OC1[C@H](O[C@H]2C(C)O[C@@H](OC3[C@H](OC(=O)[C@]45CCC(C)(C)CC4C4=CCC6C7(C)CC[C@H](O[C@@H]8OC(CNC(=O)Cc9ccc(Oc%10ccccc%10)cc9)[C@@H](C)[C@H](C)C8C)C(C)(C=O)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5C)OC(C)[C@@H]4OC(C)(C)O[C@H]34)[C@@H](OC(C)=O)C2C)OC[C@@H](C)[C@@H]1C.CC1[C@H](O[C@H]2CCC3(C)C4CC=C5C6CC(C)(C)CC[C@]6(C(=O)O)C(C)C[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C=O)OC(CNC(=O)CCCCCCCCCCc2ccc(Oc3ccccc3)cc2)[C@@H](C)[C@@H]1C.[H]/N=C(/OC1OC(C)[C@@H]2OC(C)(C)O[C@@H]2C1O[C@@H]1OC(C)[C@H](O[C@@H]2OC[C@@H](C)[C@H](C)C2OC(C)=O)C(C)[C@@H]1OC(C)=O)C(Cl)(Cl)Cl.

What is the InChIKey of [(3aS,6S,7aS)-7-[(2S,3S,5R)-3-acetyloxy-5-[(2S,4S,5S)-3-acetyloxy-4,5-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl] (4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[[2-(4-phenoxyphenyl)acetyl]amino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;(4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[11-(4-phenoxyphenyl)undecanoylamino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;[(2S,4S,5S)-2-[(3R,5S,6S)-6-[[(3aS,7aS)-2,2,4-trimethyl-6-(2,2,2-trichloroethanimidoyl)oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-5-acetyloxy-2,4-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate?

The InChIKey is WPBOAJRZZCGBOY-OFMOVMQJSA-N. The full InChI is InChI=1S/C81H117NO18.C63H93NO7.C29H44Cl3NO12/c1-43-41-88-71(65(45(43)3)91-52(10)84)96-64-49(7)66(92-53(11)85)72(89-50(64)8)97-69-68-67(99-76(14,15)100-68)51(9)90-73(69)98-74(87)81-36-35-75(12,13)39-58(81)57-29-30-61-77(16)33-32-62(78(17,42-83)60(77)31-34-79(61,18)80(57,19)38-44(81)2)95-70-48(6)46(4)47(5)59(94-70)40-82-63(86)37-54-25-27-56(28-26-54)93-55-23-21-20-22-24-55;1-42-38-62(10)49(50-39-58(5,6)36-37-63(42,50)57(67)68)30-31-53-59(7)34-33-54(60(8,41-65)52(59)32-35-61(53,62)9)71-56-45(4)43(2)44(3)51(70-56)40-64-55(66)25-21-16-14-12-11-13-15-18-22-46-26-28-48(29-27-46)69-47-23-19-17-20-24-47;1-11-10-36-24(19(12(11)2)39-16(6)34)41-18-13(3)20(40-17(7)35)25(37-14(18)4)42-23-22-21(44-28(8,9)45-22)15(5)38-26(23)43-27(33)29(30,31)32/h20-29,42-51,58-62,64-73H,30-41H2,1-19H3,(H,82,86);17,19-20,23-24,26-30,41-45,50-54,56H,11-16,18,21-22,25,31-40H2,1-10H3,(H,64,66)(H,67,68);11-15,18-26,33H,10H2,1-9H3/b;;33-27+/t43-,44?,45+,46+,47+,48?,49?,50?,51?,58?,59?,60-,61?,62+,64-,65?,66+,67+,68+,69?,70+,71+,72+,73+,77?,78?,79-,80-,81+;42?,43-,44-,45?,50?,51?,52+,53?,54-,56-,59?,60?,61+,62+,63-;11-,12+,13?,14?,15?,18-,19?,20+,21+,22+,23?,24+,25+,26?/m101/s1.

What are the key properties of [(3aS,6S,7aS)-7-[(2S,3S,5R)-3-acetyloxy-5-[(2S,4S,5S)-3-acetyloxy-4,5-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl] (4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[[2-(4-phenoxyphenyl)acetyl]amino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;(4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[11-(4-phenoxyphenyl)undecanoylamino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;[(2S,4S,5S)-2-[(3R,5S,6S)-6-[[(3aS,7aS)-2,2,4-trimethyl-6-(2,2,2-trichloroethanimidoyl)oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-5-acetyloxy-2,4-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate?

[(3aS,6S,7aS)-7-[(2S,3S,5R)-3-acetyloxy-5-[(2S,4S,5S)-3-acetyloxy-4,5-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl] (4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[[2-(4-phenoxyphenyl)acetyl]amino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;(4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[11-(4-phenoxyphenyl)undecanoylamino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;[(2S,4S,5S)-2-[(3R,5S,6S)-6-[[(3aS,7aS)-2,2,4-trimethyl-6-(2,2,2-trichloroethanimidoyl)oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-5-acetyloxy-2,4-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate has a molecular weight of 3074.28 g/mol, XLogP of 33.07, 43 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aS,6S,7aS)-7-[(2S,3S,5R)-3-acetyloxy-5-[(2S,4S,5S)-3-acetyloxy-4,5-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl] (4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[[2-(4-phenoxyphenyl)acetyl]amino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;(4aS,6aS,6bR,8aR,10S)-9-formyl-2,2,5,6a,6b,9,12a-heptamethyl-10-[(2R,4S,5S)-3,4,5-trimethyl-6-[[11-(4-phenoxyphenyl)undecanoylamino]methyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;[(2S,4S,5S)-2-[(3R,5S,6S)-6-[[(3aS,7aS)-2,2,4-trimethyl-6-(2,2,2-trichloroethanimidoyl)oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-5-acetyloxy-2,4-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate is sourced from PubChem (CID 167688641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).