[(6R,8S,8aS)-6-[(3S,4S,6S)-5-benzoyloxy-6-ethylsulfanyl-4-methyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-8-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate;(3S,4S,6R)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(3S,4R,6R)-6-[(3S,4R,6R)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid;[(4S,5R)-4-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2R,4S,5S)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl] 2,2,2-trifluoro-N-phenylethanimidate

C141H190F3N3O61S — CID 160607215

About [(6R,8S,8aS)-6-[(3S,4S,6S)-5-benzoyloxy-6-ethylsulfanyl-4-methyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-8-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate;(3S,4S,6R)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(3S,4R,6R)-6-[(3S,4R,6R)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid;[(4S,5R)-4-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2R,4S,5S)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl] 2,2,2-trifluoro-N-phenylethanimidate

[(6R,8S,8aS)-6-[(3S,4S,6S)-5-benzoyloxy-6-ethylsulfanyl-4-methyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-8-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate;(3S,4S,6R)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(3S,4R,6R)-6-[(3S,4R,6R)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid;[(4S,5R)-4-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2R,4S,5S)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl] 2,2,2-trifluoro-N-phenylethanimidate (PubChem CID 160607215) has the molecular formula C141H190F3N3O61S and a molecular weight of 2992.09 g/mol. Its IUPAC name is [(6R,8S,8aS)-6-[(3S,4S,6S)-5-benzoyloxy-6-ethylsulfanyl-4-methyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-8-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate;(3S,4S,6R)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(3S,4R,6R)-6-[(3S,4R,6R)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid;[(4S,5R)-4-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2R,4S,5S)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl] 2,2,2-trifluoro-N-phenylethanimidate.

Molecular Properties

• Compound Name: [(6R,8S,8aS)-6-[(3S,4S,6S)-5-benzoyloxy-6-ethylsulfanyl-4-methyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-8-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate;(3S,4S,6R)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(3S,4R,6R)-6-[(3S,4R,6R)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid;[(4S,5R)-4-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2R,4S,5S)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl] 2,2,2-trifluoro-N-phenylethanimidate
• PubChem CID: 160607215
• Molecular Formula: C141H190F3N3O61S
• Molecular Weight: 2992.09 g/mol
• Exact Mass: 2990.15
• IUPAC Name: [(6R,8S,8aS)-6-[(3S,4S,6S)-5-benzoyloxy-6-ethylsulfanyl-4-methyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-8-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate;(3S,4S,6R)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(3S,4R,6R)-6-[(3S,4R,6R)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid;[(4S,5R)-4-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2R,4S,5S)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl] 2,2,2-trifluoro-N-phenylethanimidate
• SMILES: CC1[C@@H](O[C@H]2C(COCc3ccccc3)OC(O/C(=N/c3ccccc3)C(F)(F)F)C(OCc3ccccc3)[C@H]2C)OC(COCc2ccccc2)[C@@H](C)[C@@H]1C.CCS[C@@H]1OC(COCc2ccccc2)[C@@H](O[C@@H]2OC3COC(c4ccccc4)O[C@H]3[C@H](C)C2OC(=O)c2ccccc2)[C@H](C)C1OC(=O)c1ccccc1.NCCO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(C(=O)O)[C@@H](O[C@H]3OC(CO)[C@H](O[C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)[C@H](O)C2O)C(O)C1O.NCCO[C@H]1OC(CO)[C@H](O[C@H]2OC(CO)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)[C@H](O)C2O)[C@H](O)C1O
• InChI: InChI=1S/C45H52F3NO7.C44H48O10S.2C26H45NO22/c1-30-31(2)38(28-50-25-34-17-9-5-10-18-34)53-42(32(30)3)55-40-33(4)41(52-27-36-21-13-7-14-22-36)43(54-39(40)29-51-26-35-19-11-6-12-20-35)56-44(45(46,47)48)49-37-23-15-8-16-24-37;1-4-55-44-39(52-41(46)32-21-13-7-14-22-32)29(3)37(34(50-44)26-47-25-30-17-9-5-10-18-30)54-43-38(51-40(45)31-19-11-6-12-20-31)28(2)36-35(49-43)27-48-42(53-36)33-23-15-8-16-24-33;27-1-2-42-23-15(37)11(33)18(6(3-28)43-23)46-24-16(38)12(34)19(7(4-29)44-24)47-25-17(39)13(35)20(8(5-30)45-25)48-26-14(36)9(31)10(32)21(49-26)22(40)41;27-1-2-42-23-15(37)11(33)18(7(4-29)44-23)47-26-17(39)13(35)20(21(49-26)22(40)41)48-25-16(38)12(34)19(8(5-30)45-25)46-24-14(36)10(32)9(31)6(3-28)43-24/h5-24,30-33,38-43H,25-29H2,1-4H3;5-24,28-29,34-39,42-44H,4,25-27H2,1-3H3;2*6-21,23-26,28-39H,1-5,27H2,(H,40,41)/b49-44+;;;/t30-,31-,32?,33-,38?,39?,40+,41?,42+,43?;28-,29-,34?,35?,36-,37-,38?,39?,42?,43-,44-;6?,7?,8?,9-,10-,11+,12+,13+,14?,15?,16?,17?,18-,19+,20+,21?,23-,24+,25-,26+;6?,7?,8?,9-,10+,11?,12-,13-,14?,15?,16?,17?,18-,19+,20+,21?,23-,24-,25-,26-/m0001/s1
• InChIKey: RFANDQFXMQOQEB-QNMHIPBCSA-N
• XLogP: -2.02
• TPSA: 944.79 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 63
• Rotatable Bonds: 54
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2992.09
LogP ≤ 5	-2.02
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	63

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(6R,8S,8aS)-6-[(3S,4S,6S)-5-benzoyloxy-6-ethylsulfanyl-4-methyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-8-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate;(3S,4S,6R)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(3S,4R,6R)-6-[(3S,4R,6R)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid;[(4S,5R)-4-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2R,4S,5S)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl] 2,2,2-trifluoro-N-phenylethanimidate?

The IUPAC name of [(6R,8S,8aS)-6-[(3S,4S,6S)-5-benzoyloxy-6-ethylsulfanyl-4-methyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-8-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate;(3S,4S,6R)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(3S,4R,6R)-6-[(3S,4R,6R)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid;[(4S,5R)-4-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2R,4S,5S)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl] 2,2,2-trifluoro-N-phenylethanimidate (CID 160607215) is [(6R,8S,8aS)-6-[(3S,4S,6S)-5-benzoyloxy-6-ethylsulfanyl-4-methyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-8-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate;(3S,4S,6R)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(3S,4R,6R)-6-[(3S,4R,6R)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid;[(4S,5R)-4-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2R,4S,5S)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl] 2,2,2-trifluoro-N-phenylethanimidate.

What is the SMILES notation for [(6R,8S,8aS)-6-[(3S,4S,6S)-5-benzoyloxy-6-ethylsulfanyl-4-methyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-8-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate;(3S,4S,6R)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(3S,4R,6R)-6-[(3S,4R,6R)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid;[(4S,5R)-4-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2R,4S,5S)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl] 2,2,2-trifluoro-N-phenylethanimidate?

The canonical SMILES for [(6R,8S,8aS)-6-[(3S,4S,6S)-5-benzoyloxy-6-ethylsulfanyl-4-methyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-8-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate;(3S,4S,6R)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(3S,4R,6R)-6-[(3S,4R,6R)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid;[(4S,5R)-4-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2R,4S,5S)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl] 2,2,2-trifluoro-N-phenylethanimidate is CC1[C@@H](O[C@H]2C(COCc3ccccc3)OC(O/C(=N/c3ccccc3)C(F)(F)F)C(OCc3ccccc3)[C@H]2C)OC(COCc2ccccc2)[C@@H](C)[C@@H]1C.CCS[C@@H]1OC(COCc2ccccc2)[C@@H](O[C@@H]2OC3COC(c4ccccc4)O[C@H]3[C@H](C)C2OC(=O)c2ccccc2)[C@H](C)C1OC(=O)c1ccccc1.NCCO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(C(=O)O)[C@@H](O[C@H]3OC(CO)[C@H](O[C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)[C@H](O)C2O)C(O)C1O.NCCO[C@H]1OC(CO)[C@H](O[C@H]2OC(CO)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)[C@H](O)C2O)[C@H](O)C1O.

What is the InChIKey of [(6R,8S,8aS)-6-[(3S,4S,6S)-5-benzoyloxy-6-ethylsulfanyl-4-methyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-8-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate;(3S,4S,6R)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(3S,4R,6R)-6-[(3S,4R,6R)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid;[(4S,5R)-4-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2R,4S,5S)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl] 2,2,2-trifluoro-N-phenylethanimidate?

The InChIKey is RFANDQFXMQOQEB-QNMHIPBCSA-N. The full InChI is InChI=1S/C45H52F3NO7.C44H48O10S.2C26H45NO22/c1-30-31(2)38(28-50-25-34-17-9-5-10-18-34)53-42(32(30)3)55-40-33(4)41(52-27-36-21-13-7-14-22-36)43(54-39(40)29-51-26-35-19-11-6-12-20-35)56-44(45(46,47)48)49-37-23-15-8-16-24-37;1-4-55-44-39(52-41(46)32-21-13-7-14-22-32)29(3)37(34(50-44)26-47-25-30-17-9-5-10-18-30)54-43-38(51-40(45)31-19-11-6-12-20-31)28(2)36-35(49-43)27-48-42(53-36)33-23-15-8-16-24-33;27-1-2-42-23-15(37)11(33)18(6(3-28)43-23)46-24-16(38)12(34)19(7(4-29)44-24)47-25-17(39)13(35)20(8(5-30)45-25)48-26-14(36)9(31)10(32)21(49-26)22(40)41;27-1-2-42-23-15(37)11(33)18(7(4-29)44-23)47-26-17(39)13(35)20(21(49-26)22(40)41)48-25-16(38)12(34)19(8(5-30)45-25)46-24-14(36)10(32)9(31)6(3-28)43-24/h5-24,30-33,38-43H,25-29H2,1-4H3;5-24,28-29,34-39,42-44H,4,25-27H2,1-3H3;2*6-21,23-26,28-39H,1-5,27H2,(H,40,41)/b49-44+;;;/t30-,31-,32?,33-,38?,39?,40+,41?,42+,43?;28-,29-,34?,35?,36-,37-,38?,39?,42?,43-,44-;6?,7?,8?,9-,10-,11+,12+,13+,14?,15?,16?,17?,18-,19+,20+,21?,23-,24+,25-,26+;6?,7?,8?,9-,10+,11?,12-,13-,14?,15?,16?,17?,18-,19+,20+,21?,23-,24-,25-,26-/m0001/s1.

What are the key properties of [(6R,8S,8aS)-6-[(3S,4S,6S)-5-benzoyloxy-6-ethylsulfanyl-4-methyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-8-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate;(3S,4S,6R)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(3S,4R,6R)-6-[(3S,4R,6R)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid;[(4S,5R)-4-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2R,4S,5S)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl] 2,2,2-trifluoro-N-phenylethanimidate?

[(6R,8S,8aS)-6-[(3S,4S,6S)-5-benzoyloxy-6-ethylsulfanyl-4-methyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-8-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate;(3S,4S,6R)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(3S,4R,6R)-6-[(3S,4R,6R)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid;[(4S,5R)-4-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2R,4S,5S)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl] 2,2,2-trifluoro-N-phenylethanimidate has a molecular weight of 2992.09 g/mol, XLogP of -2.02, 54 rotatable bonds, 28 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for [(6R,8S,8aS)-6-[(3S,4S,6S)-5-benzoyloxy-6-ethylsulfanyl-4-methyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-8-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate;(3S,4S,6R)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(3S,4R,6R)-6-[(3S,4R,6R)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid;[(4S,5R)-4-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2R,4S,5S)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl] 2,2,2-trifluoro-N-phenylethanimidate is sourced from PubChem (CID 160607215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).