(2R,4aR,6S,7R,8R,8aS)-6-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z)-2,6,10,14,18,22,26,30,34,38,42-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(3-carboxypropanoyloxymethyl)-3,5-dihydroxyoxan-4-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid

C112H180O53P2 — CID 146037017

About (2R,4aR,6S,7R,8R,8aS)-6-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z)-2,6,10,14,18,22,26,30,34,38,42-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(3-carboxypropanoyloxymethyl)-3,5-dihydroxyoxan-4-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid

(2R,4aR,6S,7R,8R,8aS)-6-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z)-2,6,10,14,18,22,26,30,34,38,42-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(3-carboxypropanoyloxymethyl)-3,5-dihydroxyoxan-4-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid (PubChem CID 146037017) has the molecular formula C112H180O53P2 and a molecular weight of 2436.57 g/mol. Its IUPAC name is (2R,4aR,6S,7R,8R,8aS)-6-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z)-2,6,10,14,18,22,26,30,34,38,42-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(3-carboxypropanoyloxymethyl)-3,5-dihydroxyoxan-4-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R,4aR,6S,7R,8R,8aS)-6-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z)-2,6,10,14,18,22,26,30,34,38,42-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(3-carboxypropanoyloxymethyl)-3,5-dihydroxyoxan-4-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
• PubChem CID: 146037017
• Molecular Formula: C112H180O53P2
• Molecular Weight: 2436.57 g/mol
• Exact Mass: 2435.09
• IUPAC Name: (2R,4aR,6S,7R,8R,8aS)-6-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z)-2,6,10,14,18,22,26,30,34,38,42-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(3-carboxypropanoyloxymethyl)-3,5-dihydroxyoxan-4-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
• SMILES: C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)COP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](COC(=O)CCC(=O)O)[C@@H](O)[C@H](O[C@@H]8O[C@@H]9CO[C@@](C)(C(=O)O)O[C@H]9[C@H](O)[C@H]8O)[C@H]7O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1O
• InChI: InChI=1S/C112H180O53P2/c1-15-57(2)26-16-27-58(3)28-17-29-59(4)30-18-31-60(5)32-19-33-61(6)34-20-35-62(7)36-21-37-63(8)38-22-39-64(9)40-23-41-65(10)42-24-43-66(11)44-25-45-67(12)51-149-166(140,141)165-167(142,143)164-110-96(137)101(82(123)70(49-114)151-110)160-106-91(132)86(127)97(71(50-115)152-106)158-107-92(133)87(128)98(75(156-107)55-144-68(13)116)159-105-90(131)85(126)80(121)73(154-105)54-146-103-89(130)84(125)79(120)72(153-103)53-147-104-94(135)100(81(122)69(48-113)150-104)162-109-95(136)102(83(124)74(155-109)52-145-78(119)47-46-77(117)118)161-108-93(134)88(129)99-76(157-108)56-148-112(14,163-99)111(138)139/h15,27,29,31,33,35,37,39,41,43,45,69-76,79-110,113-115,120-137H,16-26,28,30,32,34,36,38,40,42,44,46-56H2,1-14H3,(H,117,118)(H,138,139)(H,140,141)(H,142,143)/b57-15-,58-27-,59-29-,60-31-,61-33-,62-35-,63-37-,64-39-,65-41+,66-43+,67-45+/t69-,70-,71-,72-,73-,74-,75-,76-,79-,80-,81-,82+,83-,84+,85+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100+,101+,102+,103-,104-,105+,106+,107+,108+,109+,110-,112-/m1/s1
• InChIKey: WDEUFLHLHNHGOX-BHAVIHRTSA-N
• XLogP: 2.89
• TPSA: 811.23 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 49
• Rotatable Bonds: 64
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2436.57
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6S,7R,8R,8aS)-6-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z)-2,6,10,14,18,22,26,30,34,38,42-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(3-carboxypropanoyloxymethyl)-3,5-dihydroxyoxan-4-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid?

The IUPAC name of (2R,4aR,6S,7R,8R,8aS)-6-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z)-2,6,10,14,18,22,26,30,34,38,42-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(3-carboxypropanoyloxymethyl)-3,5-dihydroxyoxan-4-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid (CID 146037017) is (2R,4aR,6S,7R,8R,8aS)-6-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z)-2,6,10,14,18,22,26,30,34,38,42-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(3-carboxypropanoyloxymethyl)-3,5-dihydroxyoxan-4-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid.

What is the SMILES notation for (2R,4aR,6S,7R,8R,8aS)-6-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z)-2,6,10,14,18,22,26,30,34,38,42-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(3-carboxypropanoyloxymethyl)-3,5-dihydroxyoxan-4-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid?

The canonical SMILES for (2R,4aR,6S,7R,8R,8aS)-6-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z)-2,6,10,14,18,22,26,30,34,38,42-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(3-carboxypropanoyloxymethyl)-3,5-dihydroxyoxan-4-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid is C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)COP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](COC(=O)CCC(=O)O)[C@@H](O)[C@H](O[C@@H]8O[C@@H]9CO[C@@](C)(C(=O)O)O[C@H]9[C@H](O)[C@H]8O)[C@H]7O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1O.

What is the InChIKey of (2R,4aR,6S,7R,8R,8aS)-6-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z)-2,6,10,14,18,22,26,30,34,38,42-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(3-carboxypropanoyloxymethyl)-3,5-dihydroxyoxan-4-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid?

The InChIKey is WDEUFLHLHNHGOX-BHAVIHRTSA-N. The full InChI is InChI=1S/C112H180O53P2/c1-15-57(2)26-16-27-58(3)28-17-29-59(4)30-18-31-60(5)32-19-33-61(6)34-20-35-62(7)36-21-37-63(8)38-22-39-64(9)40-23-41-65(10)42-24-43-66(11)44-25-45-67(12)51-149-166(140,141)165-167(142,143)164-110-96(137)101(82(123)70(49-114)151-110)160-106-91(132)86(127)97(71(50-115)152-106)158-107-92(133)87(128)98(75(156-107)55-144-68(13)116)159-105-90(131)85(126)80(121)73(154-105)54-146-103-89(130)84(125)79(120)72(153-103)53-147-104-94(135)100(81(122)69(48-113)150-104)162-109-95(136)102(83(124)74(155-109)52-145-78(119)47-46-77(117)118)161-108-93(134)88(129)99-76(157-108)56-148-112(14,163-99)111(138)139/h15,27,29,31,33,35,37,39,41,43,45,69-76,79-110,113-115,120-137H,16-26,28,30,32,34,36,38,40,42,44,46-56H2,1-14H3,(H,117,118)(H,138,139)(H,140,141)(H,142,143)/b57-15-,58-27-,59-29-,60-31-,61-33-,62-35-,63-37-,64-39-,65-41+,66-43+,67-45+/t69-,70-,71-,72-,73-,74-,75-,76-,79-,80-,81-,82+,83-,84+,85+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100+,101+,102+,103-,104-,105+,106+,107+,108+,109+,110-,112-/m1/s1.

What are the key properties of (2R,4aR,6S,7R,8R,8aS)-6-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z)-2,6,10,14,18,22,26,30,34,38,42-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(3-carboxypropanoyloxymethyl)-3,5-dihydroxyoxan-4-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid?

(2R,4aR,6S,7R,8R,8aS)-6-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z)-2,6,10,14,18,22,26,30,34,38,42-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(3-carboxypropanoyloxymethyl)-3,5-dihydroxyoxan-4-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid has a molecular weight of 2436.57 g/mol, XLogP of 2.89, 64 rotatable bonds, 25 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4aR,6S,7R,8R,8aS)-6-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z)-2,6,10,14,18,22,26,30,34,38,42-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(3-carboxypropanoyloxymethyl)-3,5-dihydroxyoxan-4-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid is sourced from PubChem (CID 146037017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).