[(2R,3S,6R)-6-[(2S,3S,6R)-5-acetyloxy-2-(acetyloxymethyl)-6-[(3S,4R,6S)-6-[(3S,4S,6R)-6-[(2S,3S,6S)-6-[(2S,3S,6R)-6-[(3S,4R,6R)-2-(acetyloxymethyl)-6-[(3S,4R,6R)-6-[(2S,3S,6R)-2-(acetyloxymethyl)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-2-formyloxy-5-methoxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-(methoxymethyl)-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethyloxan-3-yl]oxy-4-methyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methyl acetate

C107H167NO49 — CID 123700504

IUPAC[(2R,3S,6R)-6-[(2S,3S,6R)-5-acetyloxy-2-(acetyloxymethyl)-6-[(3S,4R,6S)-6-[(3S,4S,6R)-6-[(2S,3S,6S)-6-[(2S,3S,6R)-6-[(3S,4R,6R)-2-(acetyloxymethyl)-6-[(3S,4R,6R)-6-[(2S,3S,6R)-2-(acetyloxymethyl)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-2-formyloxy-5-methoxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-(methoxymethyl)-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethyloxan-3-yl]oxy-4-methyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methyl acetate
SMILESCOCC1O[C@@H](O[C@H]2C(C)C(C)[C@@H](O[C@H]3C(C)C(OC)[C@H](O[C@@H]4C(COC(C)=O)O[C@H](O[C@@H]5C(OC=O)O[C@@H](O[C@H]6C(C)C(O)[C@@H](O[C@H]7C(OC)C(C)[C@H](O[C@@H]8C(CO)O[C@H](OC)C(O)[C@H]8O)O[C@H]7OC=O)O[C@H]6COC(C)=O)C(OC)[C@H]5C)C(C)[C@H]4C)O[C@H]3COC)O[C@H]2COC)C(OC)[C@@H](C)[C@@H]1O[C@H]1OC(CN2C(=O)c3ccccc3C2=O)[C@@H](O[C@@H]2O[C@@H](COC(C)=O)[C@@H](O[C@H]3O[C@@H](COC(C)=O)[C@@H](C)C(C)C3C)C(C)C2OC(C)=O)[C@H](C)C1C
InChIInChI=1S/C107H167NO49/c1-44-45(2)68(38-130-59(16)112)139-95(49(44)6)148-84-56(13)90(136-63(20)116)107(145-74(84)41-133-62(19)115)149-78-46(3)50(7)96(137-66(78)33-108-93(120)64-31-29-30-32-65(64)94(108)121)146-82-54(11)86(126-25)104(143-70(82)36-123-22)150-79-47(4)51(8)97(140-69(79)35-122-21)147-83-55(12)87(127-26)105(144-71(83)37-124-23)151-80-48(5)52(9)98(141-72(80)39-131-60(17)113)153-89-57(14)88(128-27)106(157-102(89)134-42-110)152-81-53(10)75(117)101(142-73(81)40-132-61(18)114)155-92-85(125-24)58(15)99(156-103(92)135-43-111)154-91-67(34-109)138-100(129-28)77(119)76(91)118/h29-32,42-58,66-92,95-107,109,117-119H,33-41H2,1-28H3/t44?,45-,46+,47?,48+,49?,50?,51?,52?,53?,54-,55?,56?,57+,58?,66?,67?,68-,69-,70?,71-,72?,73-,74-,75?,76+,77?,78-,79-,80-,81-,82-,83-,84-,85?,86?,87?,88?,89-,90?,91+,92-,95+,96+,97+,98+,99+,100-,101+,102?,103+,104-,105-,106+,107-/m0/s1
InChIKeyUDNOZOXBHINPLC-PXQSVROHSA-N
MW2251.47 g/mol
LogP3.82
Rot. Bonds47

About [(2R,3S,6R)-6-[(2S,3S,6R)-5-acetyloxy-2-(acetyloxymethyl)-6-[(3S,4R,6S)-6-[(3S,4S,6R)-6-[(2S,3S,6S)-6-[(2S,3S,6R)-6-[(3S,4R,6R)-2-(acetyloxymethyl)-6-[(3S,4R,6R)-6-[(2S,3S,6R)-2-(acetyloxymethyl)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-2-formyloxy-5-methoxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-(methoxymethyl)-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethyloxan-3-yl]oxy-4-methyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methyl acetate

[(2R,3S,6R)-6-[(2S,3S,6R)-5-acetyloxy-2-(acetyloxymethyl)-6-[(3S,4R,6S)-6-[(3S,4S,6R)-6-[(2S,3S,6S)-6-[(2S,3S,6R)-6-[(3S,4R,6R)-2-(acetyloxymethyl)-6-[(3S,4R,6R)-6-[(2S,3S,6R)-2-(acetyloxymethyl)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-2-formyloxy-5-methoxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-(methoxymethyl)-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethyloxan-3-yl]oxy-4-methyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methyl acetate (PubChem CID 123700504) has the molecular formula C107H167NO49 and a molecular weight of 2251.47 g/mol. Its IUPAC name is [(2R,3S,6R)-6-[(2S,3S,6R)-5-acetyloxy-2-(acetyloxymethyl)-6-[(3S,4R,6S)-6-[(3S,4S,6R)-6-[(2S,3S,6S)-6-[(2S,3S,6R)-6-[(3S,4R,6R)-2-(acetyloxymethyl)-6-[(3S,4R,6R)-6-[(2S,3S,6R)-2-(acetyloxymethyl)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-2-formyloxy-5-methoxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-(methoxymethyl)-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethyloxan-3-yl]oxy-4-methyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,6R)-6-[(2S,3S,6R)-5-acetyloxy-2-(acetyloxymethyl)-6-[(3S,4R,6S)-6-[(3S,4S,6R)-6-[(2S,3S,6S)-6-[(2S,3S,6R)-6-[(3S,4R,6R)-2-(acetyloxymethyl)-6-[(3S,4R,6R)-6-[(2S,3S,6R)-2-(acetyloxymethyl)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-2-formyloxy-5-methoxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-(methoxymethyl)-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethyloxan-3-yl]oxy-4-methyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methyl acetate
PubChem CID123700504
Molecular FormulaC107H167NO49
Molecular Weight2251.47 g/mol
Exact Mass2250.06
IUPAC Name[(2R,3S,6R)-6-[(2S,3S,6R)-5-acetyloxy-2-(acetyloxymethyl)-6-[(3S,4R,6S)-6-[(3S,4S,6R)-6-[(2S,3S,6S)-6-[(2S,3S,6R)-6-[(3S,4R,6R)-2-(acetyloxymethyl)-6-[(3S,4R,6R)-6-[(2S,3S,6R)-2-(acetyloxymethyl)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-2-formyloxy-5-methoxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-(methoxymethyl)-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethyloxan-3-yl]oxy-4-methyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methyl acetate
SMILESCOCC1O[C@@H](O[C@H]2C(C)C(C)[C@@H](O[C@H]3C(C)C(OC)[C@H](O[C@@H]4C(COC(C)=O)O[C@H](O[C@@H]5C(OC=O)O[C@@H](O[C@H]6C(C)C(O)[C@@H](O[C@H]7C(OC)C(C)[C@H](O[C@@H]8C(CO)O[C@H](OC)C(O)[C@H]8O)O[C@H]7OC=O)O[C@H]6COC(C)=O)C(OC)[C@H]5C)C(C)[C@H]4C)O[C@H]3COC)O[C@H]2COC)C(OC)[C@@H](C)[C@@H]1O[C@H]1OC(CN2C(=O)c3ccccc3C2=O)[C@@H](O[C@@H]2O[C@@H](COC(C)=O)[C@@H](O[C@H]3O[C@@H](COC(C)=O)[C@@H](C)C(C)C3C)C(C)C2OC(C)=O)[C@H](C)C1C
InChIInChI=1S/C107H167NO49/c1-44-45(2)68(38-130-59(16)112)139-95(49(44)6)148-84-56(13)90(136-63(20)116)107(145-74(84)41-133-62(19)115)149-78-46(3)50(7)96(137-66(78)33-108-93(120)64-31-29-30-32-65(64)94(108)121)146-82-54(11)86(126-25)104(143-70(82)36-123-22)150-79-47(4)51(8)97(140-69(79)35-122-21)147-83-55(12)87(127-26)105(144-71(83)37-124-23)151-80-48(5)52(9)98(141-72(80)39-131-60(17)113)153-89-57(14)88(128-27)106(157-102(89)134-42-110)152-81-53(10)75(117)101(142-73(81)40-132-61(18)114)155-92-85(125-24)58(15)99(156-103(92)135-43-111)154-91-67(34-109)138-100(129-28)77(119)76(91)118/h29-32,42-58,66-92,95-107,109,117-119H,33-41H2,1-28H3/t44?,45-,46+,47?,48+,49?,50?,51?,52?,53?,54-,55?,56?,57+,58?,66?,67?,68-,69-,70?,71-,72?,73-,74-,75?,76+,77?,78-,79-,80-,81-,82-,83-,84-,85?,86?,87?,88?,89-,90?,91+,92-,95+,96+,97+,98+,99+,100-,101+,102?,103+,104-,105-,106+,107-/m0/s1
InChIKeyUDNOZOXBHINPLC-PXQSVROHSA-N
XLogP3.82
TPSA570.07 Ų
H-Bond Donors4
H-Bond Acceptors49
Rotatable Bonds47
Heavy Atoms157
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002251.47
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze [(2R,3S,6R)-6-[(2S,3S,6R)-5-acetyloxy-2-(acetyloxymethyl)-6-[(3S,4R,6S)-6-[(3S,4S,6R)-6-[(2S,3S,6S)-6-[(2S,3S,6R)-6-[(3S,4R,6R)-2-(acetyloxymethyl)-6-[(3S,4R,6R)-6-[(2S,3S,6R)-2-(acetyloxymethyl)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-2-formyloxy-5-methoxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-(methoxymethyl)-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethyloxan-3-yl]oxy-4-methyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methyl acetate with MolForge

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Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6R)-6-[(2S,3S,6R)-5-acetyloxy-2-(acetyloxymethyl)-6-[(3S,4R,6S)-6-[(3S,4S,6R)-6-[(2S,3S,6S)-6-[(2S,3S,6R)-6-[(3S,4R,6R)-2-(acetyloxymethyl)-6-[(3S,4R,6R)-6-[(2S,3S,6R)-2-(acetyloxymethyl)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-2-formyloxy-5-methoxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-(methoxymethyl)-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethyloxan-3-yl]oxy-4-methyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,6R)-6-[(2S,3S,6R)-5-acetyloxy-2-(acetyloxymethyl)-6-[(3S,4R,6S)-6-[(3S,4S,6R)-6-[(2S,3S,6S)-6-[(2S,3S,6R)-6-[(3S,4R,6R)-2-(acetyloxymethyl)-6-[(3S,4R,6R)-6-[(2S,3S,6R)-2-(acetyloxymethyl)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-2-formyloxy-5-methoxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-(methoxymethyl)-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethyloxan-3-yl]oxy-4-methyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methyl acetate (CID 123700504) is [(2R,3S,6R)-6-[(2S,3S,6R)-5-acetyloxy-2-(acetyloxymethyl)-6-[(3S,4R,6S)-6-[(3S,4S,6R)-6-[(2S,3S,6S)-6-[(2S,3S,6R)-6-[(3S,4R,6R)-2-(acetyloxymethyl)-6-[(3S,4R,6R)-6-[(2S,3S,6R)-2-(acetyloxymethyl)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-2-formyloxy-5-methoxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-(methoxymethyl)-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethyloxan-3-yl]oxy-4-methyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,6R)-6-[(2S,3S,6R)-5-acetyloxy-2-(acetyloxymethyl)-6-[(3S,4R,6S)-6-[(3S,4S,6R)-6-[(2S,3S,6S)-6-[(2S,3S,6R)-6-[(3S,4R,6R)-2-(acetyloxymethyl)-6-[(3S,4R,6R)-6-[(2S,3S,6R)-2-(acetyloxymethyl)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-2-formyloxy-5-methoxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-(methoxymethyl)-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethyloxan-3-yl]oxy-4-methyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,6R)-6-[(2S,3S,6R)-5-acetyloxy-2-(acetyloxymethyl)-6-[(3S,4R,6S)-6-[(3S,4S,6R)-6-[(2S,3S,6S)-6-[(2S,3S,6R)-6-[(3S,4R,6R)-2-(acetyloxymethyl)-6-[(3S,4R,6R)-6-[(2S,3S,6R)-2-(acetyloxymethyl)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-2-formyloxy-5-methoxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-(methoxymethyl)-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethyloxan-3-yl]oxy-4-methyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methyl acetate is COCC1O[C@@H](O[C@H]2C(C)C(C)[C@@H](O[C@H]3C(C)C(OC)[C@H](O[C@@H]4C(COC(C)=O)O[C@H](O[C@@H]5C(OC=O)O[C@@H](O[C@H]6C(C)C(O)[C@@H](O[C@H]7C(OC)C(C)[C@H](O[C@@H]8C(CO)O[C@H](OC)C(O)[C@H]8O)O[C@H]7OC=O)O[C@H]6COC(C)=O)C(OC)[C@H]5C)C(C)[C@H]4C)O[C@H]3COC)O[C@H]2COC)C(OC)[C@@H](C)[C@@H]1O[C@H]1OC(CN2C(=O)c3ccccc3C2=O)[C@@H](O[C@@H]2O[C@@H](COC(C)=O)[C@@H](O[C@H]3O[C@@H](COC(C)=O)[C@@H](C)C(C)C3C)C(C)C2OC(C)=O)[C@H](C)C1C.
What is the InChIKey of [(2R,3S,6R)-6-[(2S,3S,6R)-5-acetyloxy-2-(acetyloxymethyl)-6-[(3S,4R,6S)-6-[(3S,4S,6R)-6-[(2S,3S,6S)-6-[(2S,3S,6R)-6-[(3S,4R,6R)-2-(acetyloxymethyl)-6-[(3S,4R,6R)-6-[(2S,3S,6R)-2-(acetyloxymethyl)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-2-formyloxy-5-methoxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-(methoxymethyl)-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethyloxan-3-yl]oxy-4-methyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methyl acetate?
The InChIKey is UDNOZOXBHINPLC-PXQSVROHSA-N. The full InChI is InChI=1S/C107H167NO49/c1-44-45(2)68(38-130-59(16)112)139-95(49(44)6)148-84-56(13)90(136-63(20)116)107(145-74(84)41-133-62(19)115)149-78-46(3)50(7)96(137-66(78)33-108-93(120)64-31-29-30-32-65(64)94(108)121)146-82-54(11)86(126-25)104(143-70(82)36-123-22)150-79-47(4)51(8)97(140-69(79)35-122-21)147-83-55(12)87(127-26)105(144-71(83)37-124-23)151-80-48(5)52(9)98(141-72(80)39-131-60(17)113)153-89-57(14)88(128-27)106(157-102(89)134-42-110)152-81-53(10)75(117)101(142-73(81)40-132-61(18)114)155-92-85(125-24)58(15)99(156-103(92)135-43-111)154-91-67(34-109)138-100(129-28)77(119)76(91)118/h29-32,42-58,66-92,95-107,109,117-119H,33-41H2,1-28H3/t44?,45-,46+,47?,48+,49?,50?,51?,52?,53?,54-,55?,56?,57+,58?,66?,67?,68-,69-,70?,71-,72?,73-,74-,75?,76+,77?,78-,79-,80-,81-,82-,83-,84-,85?,86?,87?,88?,89-,90?,91+,92-,95+,96+,97+,98+,99+,100-,101+,102?,103+,104-,105-,106+,107-/m0/s1.
What are the key properties of [(2R,3S,6R)-6-[(2S,3S,6R)-5-acetyloxy-2-(acetyloxymethyl)-6-[(3S,4R,6S)-6-[(3S,4S,6R)-6-[(2S,3S,6S)-6-[(2S,3S,6R)-6-[(3S,4R,6R)-2-(acetyloxymethyl)-6-[(3S,4R,6R)-6-[(2S,3S,6R)-2-(acetyloxymethyl)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-2-formyloxy-5-methoxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-(methoxymethyl)-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethyloxan-3-yl]oxy-4-methyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methyl acetate?
[(2R,3S,6R)-6-[(2S,3S,6R)-5-acetyloxy-2-(acetyloxymethyl)-6-[(3S,4R,6S)-6-[(3S,4S,6R)-6-[(2S,3S,6S)-6-[(2S,3S,6R)-6-[(3S,4R,6R)-2-(acetyloxymethyl)-6-[(3S,4R,6R)-6-[(2S,3S,6R)-2-(acetyloxymethyl)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-2-formyloxy-5-methoxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-(methoxymethyl)-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethyloxan-3-yl]oxy-4-methyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methyl acetate has a molecular weight of 2251.47 g/mol, XLogP of 3.82, 47 rotatable bonds, 4 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6R)-6-[(2S,3S,6R)-5-acetyloxy-2-(acetyloxymethyl)-6-[(3S,4R,6S)-6-[(3S,4S,6R)-6-[(2S,3S,6S)-6-[(2S,3S,6R)-6-[(3S,4R,6R)-2-(acetyloxymethyl)-6-[(3S,4R,6R)-6-[(2S,3S,6R)-2-(acetyloxymethyl)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-2-formyloxy-5-methoxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-(methoxymethyl)-4,5-dimethyloxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)-4-methyloxan-3-yl]oxy-2-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethyloxan-3-yl]oxy-4-methyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methyl acetate is sourced from PubChem (CID 123700504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).