(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[(3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid

C88H149N3O96S15 — CID 10606603

About (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[(3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid

(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[(3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid (PubChem CID 10606603) has the molecular formula C88H149N3O96S15 and a molecular weight of 3266.09 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[(3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[(3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid
• PubChem CID: 10606603
• Molecular Formula: C88H149N3O96S15
• Molecular Weight: 3266.09 g/mol
• Exact Mass: 3263.27
• IUPAC Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[(3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid
• SMILES: COC1[C@H](O[C@H]2C(OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]3C(OC)[C@@H](OC)[C@H](O[C@H]4[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](OC)O[C@@H]4COS(=O)(=O)O)O[C@H]3C(=O)O)O[C@@H]2COS(=O)(=O)O)O[C@H](C(=O)O)[C@@H](O[C@H]2O[C@H](COS(=O)(=O)O)[C@@H](OCCOCCOCCOCCNC(=O)COCCOCCOCCOCCSCC(=O)Nc3ccc(C(=O)NCCOCCOCCOCCOCCOCCOC4O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]5O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]5OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]4OS(=O)(=O)O)cc3)[C@H](OC)[C@H]2OC)[C@@H]1OC
• InChI: InChI=1S/C88H149N3O96S15/c1-141-61-56(49(40-162-189(99,100)101)169-84(72(61)144-4)175-64-62(142-2)73(145-5)86(177-70(64)80(95)96)173-59-52(43-165-192(108,109)110)170-88(77(186-201(135,136)137)68(59)182-197(123,124)125)176-65-63(143-3)74(146-6)85(178-71(65)81(97)98)172-57-50(41-163-190(102,103)104)167-82(147-7)75(184-199(129,130)131)66(57)180-195(117,118)119)160-36-34-156-28-26-151-18-16-148-14-12-89-54(92)45-159-33-32-155-25-24-154-30-31-158-38-39-188-46-55(93)91-48-10-8-47(9-11-48)79(94)90-13-15-149-17-19-150-20-21-152-22-23-153-27-29-157-35-37-161-83-76(185-200(132,133)134)67(181-196(120,121)122)58(51(168-83)42-164-191(105,106)107)174-87-78(187-202(138,139)140)69(183-198(126,127)128)60(179-194(114,115)116)53(171-87)44-166-193(111,112)113/h8-11,49-53,56-78,82-88H,12-46H2,1-7H3,(H,89,92)(H,90,94)(H,91,93)(H,95,96)(H,97,98)(H,99,100,101)(H,102,103,104)(H,105,106,107)(H,108,109,110)(H,111,112,113)(H,114,115,116)(H,117,118,119)(H,120,121,122)(H,123,124,125)(H,126,127,128)(H,129,130,131)(H,132,133,134)(H,135,136,137)(H,138,139,140)/t49-,50-,51-,52-,53-,56-,57-,58-,59-,60-,61+,62+,63?,64+,65+,66+,67+,68?,69+,70+,71-,72-,73?,74-,75-,76-,77-,78-,82+,83?,84-,85-,86-,87-,88-/m1/s1
• InChIKey: ZIVZUWPKGJKWCX-RDBJTTQCSA-N
• XLogP: -13.50
• TPSA: 1356.89 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 81
• Rotatable Bonds: 102
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3266.09
LogP ≤ 5	-13.50
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	81

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[(3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid?

The IUPAC name of (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[(3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid (CID 10606603) is (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[(3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid.

What is the SMILES notation for (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[(3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid?

The canonical SMILES for (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[(3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid is COC1[C@H](O[C@H]2C(OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]3C(OC)[C@@H](OC)[C@H](O[C@H]4[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](OC)O[C@@H]4COS(=O)(=O)O)O[C@H]3C(=O)O)O[C@@H]2COS(=O)(=O)O)O[C@H](C(=O)O)[C@@H](O[C@H]2O[C@H](COS(=O)(=O)O)[C@@H](OCCOCCOCCOCCNC(=O)COCCOCCOCCOCCSCC(=O)Nc3ccc(C(=O)NCCOCCOCCOCCOCCOCCOC4O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]5O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]5OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]4OS(=O)(=O)O)cc3)[C@H](OC)[C@H]2OC)[C@@H]1OC.

What is the InChIKey of (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[(3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid?

The InChIKey is ZIVZUWPKGJKWCX-RDBJTTQCSA-N. The full InChI is InChI=1S/C88H149N3O96S15/c1-141-61-56(49(40-162-189(99,100)101)169-84(72(61)144-4)175-64-62(142-2)73(145-5)86(177-70(64)80(95)96)173-59-52(43-165-192(108,109)110)170-88(77(186-201(135,136)137)68(59)182-197(123,124)125)176-65-63(143-3)74(146-6)85(178-71(65)81(97)98)172-57-50(41-163-190(102,103)104)167-82(147-7)75(184-199(129,130)131)66(57)180-195(117,118)119)160-36-34-156-28-26-151-18-16-148-14-12-89-54(92)45-159-33-32-155-25-24-154-30-31-158-38-39-188-46-55(93)91-48-10-8-47(9-11-48)79(94)90-13-15-149-17-19-150-20-21-152-22-23-153-27-29-157-35-37-161-83-76(185-200(132,133)134)67(181-196(120,121)122)58(51(168-83)42-164-191(105,106)107)174-87-78(187-202(138,139)140)69(183-198(126,127)128)60(179-194(114,115)116)53(171-87)44-166-193(111,112)113/h8-11,49-53,56-78,82-88H,12-46H2,1-7H3,(H,89,92)(H,90,94)(H,91,93)(H,95,96)(H,97,98)(H,99,100,101)(H,102,103,104)(H,105,106,107)(H,108,109,110)(H,111,112,113)(H,114,115,116)(H,117,118,119)(H,120,121,122)(H,123,124,125)(H,126,127,128)(H,129,130,131)(H,132,133,134)(H,135,136,137)(H,138,139,140)/t49-,50-,51-,52-,53-,56-,57-,58-,59-,60-,61+,62+,63?,64+,65+,66+,67+,68?,69+,70+,71-,72-,73?,74-,75-,76-,77-,78-,82+,83?,84-,85-,86-,87-,88-/m1/s1.

What are the key properties of (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[(3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid?

(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[(3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid has a molecular weight of 3266.09 g/mol, XLogP of -13.50, 102 rotatable bonds, 19 hydrogen bond donors, and 81 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[(3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid is sourced from PubChem (CID 10606603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).