(2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-5-acetamido-6-[2-[2-[[2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

C130H220N14O86 — CID 53482535

About (2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-5-acetamido-6-[2-[2-[[2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

(2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-5-acetamido-6-[2-[2-[[2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (PubChem CID 53482535) has the molecular formula C130H220N14O86 and a molecular weight of 3355.20 g/mol. Its IUPAC name is (2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-5-acetamido-6-[2-[2-[[2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-5-acetamido-6-[2-[2-[[2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• PubChem CID: 53482535
• Molecular Formula: C130H220N14O86
• Molecular Weight: 3355.20 g/mol
• Exact Mass: 3353.33
• IUPAC Name: (2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-5-acetamido-6-[2-[2-[[2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• SMILES: CC(=O)N[C@H]1[C@H](OCCOCCNC(=O)CN(CCOCCOCCN(CC(=O)NCCOCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2NC(C)=O)CC(=O)NCCOCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2NC(C)=O)CC(=O)NCCOCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2NC(C)=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)C2O)[C@H]1O
• InChI: InChI=1S/C130H220N14O86/c1-51(153)135-79-59(161)31-127(123(193)194,227-111(79)87(173)63(165)39-145)211-47-71-91(177)99(185)103(189)119(219-71)223-107-67(43-149)215-115(83(95(107)181)139-55(5)157)207-27-23-201-15-9-131-75(169)35-143(36-76(170)132-10-16-202-24-28-208-116-84(140-56(6)158)96(182)108(68(44-150)216-116)224-120-104(190)100(186)92(178)72(220-120)48-212-128(124(195)196)32-60(162)80(136-52(2)154)112(228-128)88(174)64(166)40-146)13-19-205-21-22-206-20-14-144(37-77(171)133-11-17-203-25-29-209-117-85(141-57(7)159)97(183)109(69(45-151)217-117)225-121-105(191)101(187)93(179)73(221-121)49-213-129(125(197)198)33-61(163)81(137-53(3)155)113(229-129)89(175)65(167)41-147)38-78(172)134-12-18-204-26-30-210-118-86(142-58(8)160)98(184)110(70(46-152)218-118)226-122-106(192)102(188)94(180)74(222-122)50-214-130(126(199)200)34-62(164)82(138-54(4)156)114(230-130)90(176)66(168)42-148/h59-74,79-122,145-152,161-168,173-192H,9-50H2,1-8H3,(H,131,169)(H,132,170)(H,133,171)(H,134,172)(H,135,153)(H,136,154)(H,137,155)(H,138,156)(H,139,157)(H,140,158)(H,141,159)(H,142,160)(H,193,194)(H,195,196)(H,197,198)(H,199,200)/t59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,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+,111+,112+,113+,114+,115+,116+,117+,118+,119-,120-,121-,122-,127-,128-,129-,130-/m0/s1
• InChIKey: AJTLSHFNFTWTMX-CLVBVRQKSA-N
• XLogP: -34.01
• TPSA: 1510.06 Ų
• H-Bond Donors: 52
• H-Bond Acceptors: 84
• Rotatable Bonds: 93
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3355.20
LogP ≤ 5	-34.01
H-Bond Donors ≤ 5	52
H-Bond Acceptors ≤ 10	84

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-5-acetamido-6-[2-[2-[[2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The IUPAC name of (2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-5-acetamido-6-[2-[2-[[2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CID 53482535) is (2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-5-acetamido-6-[2-[2-[[2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

What is the SMILES notation for (2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-5-acetamido-6-[2-[2-[[2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The canonical SMILES for (2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-5-acetamido-6-[2-[2-[[2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is CC(=O)N[C@H]1[C@H](OCCOCCNC(=O)CN(CCOCCOCCN(CC(=O)NCCOCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2NC(C)=O)CC(=O)NCCOCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2NC(C)=O)CC(=O)NCCOCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2NC(C)=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)C2O)[C@H]1O.

What is the InChIKey of (2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-5-acetamido-6-[2-[2-[[2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The InChIKey is AJTLSHFNFTWTMX-CLVBVRQKSA-N. The full InChI is InChI=1S/C130H220N14O86/c1-51(153)135-79-59(161)31-127(123(193)194,227-111(79)87(173)63(165)39-145)211-47-71-91(177)99(185)103(189)119(219-71)223-107-67(43-149)215-115(83(95(107)181)139-55(5)157)207-27-23-201-15-9-131-75(169)35-143(36-76(170)132-10-16-202-24-28-208-116-84(140-56(6)158)96(182)108(68(44-150)216-116)224-120-104(190)100(186)92(178)72(220-120)48-212-128(124(195)196)32-60(162)80(136-52(2)154)112(228-128)88(174)64(166)40-146)13-19-205-21-22-206-20-14-144(37-77(171)133-11-17-203-25-29-209-117-85(141-57(7)159)97(183)109(69(45-151)217-117)225-121-105(191)101(187)93(179)73(221-121)49-213-129(125(197)198)33-61(163)81(137-53(3)155)113(229-129)89(175)65(167)41-147)38-78(172)134-12-18-204-26-30-210-118-86(142-58(8)160)98(184)110(70(46-152)218-118)226-122-106(192)102(188)94(180)74(222-122)50-214-130(126(199)200)34-62(164)82(138-54(4)156)114(230-130)90(176)66(168)42-148/h59-74,79-122,145-152,161-168,173-192H,9-50H2,1-8H3,(H,131,169)(H,132,170)(H,133,171)(H,134,172)(H,135,153)(H,136,154)(H,137,155)(H,138,156)(H,139,157)(H,140,158)(H,141,159)(H,142,160)(H,193,194)(H,195,196)(H,197,198)(H,199,200)/t59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,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+,111+,112+,113+,114+,115+,116+,117+,118+,119-,120-,121-,122-,127-,128-,129-,130-/m0/s1.

What are the key properties of (2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-5-acetamido-6-[2-[2-[[2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

(2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-5-acetamido-6-[2-[2-[[2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid has a molecular weight of 3355.20 g/mol, XLogP of -34.01, 93 rotatable bonds, 52 hydrogen bond donors, and 84 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-5-acetamido-6-[2-[2-[[2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is sourced from PubChem (CID 53482535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).