(3R,4S,6R)-3-[(2S,4R,5R)-3-amino-5-[(2R,5R,6R)-5-[(2R,5R,6R)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-3-sulfooxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,6R)-6-[(2R,3S,6S)-2-carboxy-4,5-dimethoxy-6-[(3R,4S,6R)-6-methoxy-4-methyl-2-(sulfooxymethyl)-5-(trioxidanylsulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-2-(sulfooxymethyl)-4,5-bis(trioxidanylsulfanyloxy)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid

C84H145NO98S14 — CID 59010944

About (3R,4S,6R)-3-[(2S,4R,5R)-3-amino-5-[(2R,5R,6R)-5-[(2R,5R,6R)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-3-sulfooxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,6R)-6-[(2R,3S,6S)-2-carboxy-4,5-dimethoxy-6-[(3R,4S,6R)-6-methoxy-4-methyl-2-(sulfooxymethyl)-5-(trioxidanylsulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-2-(sulfooxymethyl)-4,5-bis(trioxidanylsulfanyloxy)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid

(3R,4S,6R)-3-[(2S,4R,5R)-3-amino-5-[(2R,5R,6R)-5-[(2R,5R,6R)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-3-sulfooxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,6R)-6-[(2R,3S,6S)-2-carboxy-4,5-dimethoxy-6-[(3R,4S,6R)-6-methoxy-4-methyl-2-(sulfooxymethyl)-5-(trioxidanylsulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-2-(sulfooxymethyl)-4,5-bis(trioxidanylsulfanyloxy)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid (PubChem CID 59010944) has the molecular formula C84H145NO98S14 and a molecular weight of 3185.93 g/mol. Its IUPAC name is (3R,4S,6R)-3-[(2S,4R,5R)-3-amino-5-[(2R,5R,6R)-5-[(2R,5R,6R)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-3-sulfooxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,6R)-6-[(2R,3S,6S)-2-carboxy-4,5-dimethoxy-6-[(3R,4S,6R)-6-methoxy-4-methyl-2-(sulfooxymethyl)-5-(trioxidanylsulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-2-(sulfooxymethyl)-4,5-bis(trioxidanylsulfanyloxy)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (3R,4S,6R)-3-[(2S,4R,5R)-3-amino-5-[(2R,5R,6R)-5-[(2R,5R,6R)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-3-sulfooxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,6R)-6-[(2R,3S,6S)-2-carboxy-4,5-dimethoxy-6-[(3R,4S,6R)-6-methoxy-4-methyl-2-(sulfooxymethyl)-5-(trioxidanylsulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-2-(sulfooxymethyl)-4,5-bis(trioxidanylsulfanyloxy)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid
• PubChem CID: 59010944
• Molecular Formula: C84H145NO98S14
• Molecular Weight: 3185.93 g/mol
• Exact Mass: 3183.25
• IUPAC Name: (3R,4S,6R)-3-[(2S,4R,5R)-3-amino-5-[(2R,5R,6R)-5-[(2R,5R,6R)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-3-sulfooxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,6R)-6-[(2R,3S,6S)-2-carboxy-4,5-dimethoxy-6-[(3R,4S,6R)-6-methoxy-4-methyl-2-(sulfooxymethyl)-5-(trioxidanylsulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-2-(sulfooxymethyl)-4,5-bis(trioxidanylsulfanyloxy)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid
• SMILES: COCC1O[C@@H](O[C@H]2C(OC)C(OC)[C@@H](O[C@H]3C(OC)C(OC)[C@@H](O[C@H]4C(COS(=O)(=O)O)O[C@@H](O[C@H]5C(C(=O)O)O[C@@H](O[C@H]6C(OSOOO)C(OSOOO)[C@@H](O[C@H]7C(OC)C(OC)[C@@H](O[C@H]8C(COS(=O)(=O)O)O[C@@H](OC)C(OSOOO)[C@H]8C)O[C@H]7C(=O)O)O[C@@H]6COS(=O)(=O)O)C(OC)[C@H]5OC)C(N)[C@H]4OC)O[C@@H]3COC)O[C@@H]2COC)C(OC)[C@@H](OC)[C@H]1O[C@@H]1OC(COS(=O)(=O)O)[C@H](O[C@H]2O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]3O[C@H](COS(=O)(=O)O)[C@@H](OSOOO)C(OSOOO)C3OSOOO)C(OSOOO)C2OS(=O)(=O)O)[C@H](OC)C1OC
• InChI: InChI=1S/C84H145NO98S14/c1-28-39(32(22-135-191(97,98)99)142-75(134-18)40(28)162-184-177-170-90)150-80-67(132-16)55(127-11)57(62(160-80)73(88)89)159-83-69(167-189-182-175-95)58(164-186-179-172-92)46(35(147-83)25-138-194(106,107)108)156-81-68(133-17)54(126-10)56(61(161-81)72(86)87)158-74-38(85)49(121-5)41(33(141-74)23-136-192(100,101)102)151-76-63(128-12)50(122-6)42(29(143-76)19-118-2)152-77-64(129-13)51(123-7)43(30(144-77)20-119-3)153-78-65(130-14)52(124-8)44(31(145-78)21-120-4)154-79-66(131-15)53(125-9)45(34(146-79)24-137-193(103,104)105)155-84-71(169-197(115,116)117)59(165-187-180-173-93)47(36(148-84)26-139-195(109,110)111)157-82-70(168-190-183-176-96)60(166-188-181-174-94)48(163-185-178-171-91)37(149-82)27-140-196(112,113)114/h28-71,74-84,90-96H,19-27,85H2,1-18H3,(H,86,87)(H,88,89)(H,97,98,99)(H,100,101,102)(H,103,104,105)(H,106,107,108)(H,109,110,111)(H,112,113,114)(H,115,116,117)/t28-,29+,30+,31?,32?,33?,34?,35+,36+,37+,38?,39+,40?,41-,42+,43+,44-,45-,46+,47+,48+,49+,50?,51?,52-,53-,54-,55?,56+,57-,58?,59?,60?,61?,62+,63?,64?,65?,66?,67?,68?,69?,70?,71?,74-,75+,76+,77+,78-,79-,80-,81+,82+,83+,84+/m0/s1
• InChIKey: LUFAOOUHZIXLOH-IRWPVNGSSA-N
• XLogP: -6.58
• TPSA: 1232.00 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 97
• Rotatable Bonds: 90
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3185.93
LogP ≤ 5	-6.58
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	97

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6R)-3-[(2S,4R,5R)-3-amino-5-[(2R,5R,6R)-5-[(2R,5R,6R)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-3-sulfooxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,6R)-6-[(2R,3S,6S)-2-carboxy-4,5-dimethoxy-6-[(3R,4S,6R)-6-methoxy-4-methyl-2-(sulfooxymethyl)-5-(trioxidanylsulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-2-(sulfooxymethyl)-4,5-bis(trioxidanylsulfanyloxy)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid?

The IUPAC name of (3R,4S,6R)-3-[(2S,4R,5R)-3-amino-5-[(2R,5R,6R)-5-[(2R,5R,6R)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-3-sulfooxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,6R)-6-[(2R,3S,6S)-2-carboxy-4,5-dimethoxy-6-[(3R,4S,6R)-6-methoxy-4-methyl-2-(sulfooxymethyl)-5-(trioxidanylsulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-2-(sulfooxymethyl)-4,5-bis(trioxidanylsulfanyloxy)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid (CID 59010944) is (3R,4S,6R)-3-[(2S,4R,5R)-3-amino-5-[(2R,5R,6R)-5-[(2R,5R,6R)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-3-sulfooxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,6R)-6-[(2R,3S,6S)-2-carboxy-4,5-dimethoxy-6-[(3R,4S,6R)-6-methoxy-4-methyl-2-(sulfooxymethyl)-5-(trioxidanylsulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-2-(sulfooxymethyl)-4,5-bis(trioxidanylsulfanyloxy)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid.

What is the SMILES notation for (3R,4S,6R)-3-[(2S,4R,5R)-3-amino-5-[(2R,5R,6R)-5-[(2R,5R,6R)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-3-sulfooxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,6R)-6-[(2R,3S,6S)-2-carboxy-4,5-dimethoxy-6-[(3R,4S,6R)-6-methoxy-4-methyl-2-(sulfooxymethyl)-5-(trioxidanylsulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-2-(sulfooxymethyl)-4,5-bis(trioxidanylsulfanyloxy)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid?

The canonical SMILES for (3R,4S,6R)-3-[(2S,4R,5R)-3-amino-5-[(2R,5R,6R)-5-[(2R,5R,6R)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-3-sulfooxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,6R)-6-[(2R,3S,6S)-2-carboxy-4,5-dimethoxy-6-[(3R,4S,6R)-6-methoxy-4-methyl-2-(sulfooxymethyl)-5-(trioxidanylsulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-2-(sulfooxymethyl)-4,5-bis(trioxidanylsulfanyloxy)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid is COCC1O[C@@H](O[C@H]2C(OC)C(OC)[C@@H](O[C@H]3C(OC)C(OC)[C@@H](O[C@H]4C(COS(=O)(=O)O)O[C@@H](O[C@H]5C(C(=O)O)O[C@@H](O[C@H]6C(OSOOO)C(OSOOO)[C@@H](O[C@H]7C(OC)C(OC)[C@@H](O[C@H]8C(COS(=O)(=O)O)O[C@@H](OC)C(OSOOO)[C@H]8C)O[C@H]7C(=O)O)O[C@@H]6COS(=O)(=O)O)C(OC)[C@H]5OC)C(N)[C@H]4OC)O[C@@H]3COC)O[C@@H]2COC)C(OC)[C@@H](OC)[C@H]1O[C@@H]1OC(COS(=O)(=O)O)[C@H](O[C@H]2O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]3O[C@H](COS(=O)(=O)O)[C@@H](OSOOO)C(OSOOO)C3OSOOO)C(OSOOO)C2OS(=O)(=O)O)[C@H](OC)C1OC.

What is the InChIKey of (3R,4S,6R)-3-[(2S,4R,5R)-3-amino-5-[(2R,5R,6R)-5-[(2R,5R,6R)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-3-sulfooxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,6R)-6-[(2R,3S,6S)-2-carboxy-4,5-dimethoxy-6-[(3R,4S,6R)-6-methoxy-4-methyl-2-(sulfooxymethyl)-5-(trioxidanylsulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-2-(sulfooxymethyl)-4,5-bis(trioxidanylsulfanyloxy)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid?

The InChIKey is LUFAOOUHZIXLOH-IRWPVNGSSA-N. The full InChI is InChI=1S/C84H145NO98S14/c1-28-39(32(22-135-191(97,98)99)142-75(134-18)40(28)162-184-177-170-90)150-80-67(132-16)55(127-11)57(62(160-80)73(88)89)159-83-69(167-189-182-175-95)58(164-186-179-172-92)46(35(147-83)25-138-194(106,107)108)156-81-68(133-17)54(126-10)56(61(161-81)72(86)87)158-74-38(85)49(121-5)41(33(141-74)23-136-192(100,101)102)151-76-63(128-12)50(122-6)42(29(143-76)19-118-2)152-77-64(129-13)51(123-7)43(30(144-77)20-119-3)153-78-65(130-14)52(124-8)44(31(145-78)21-120-4)154-79-66(131-15)53(125-9)45(34(146-79)24-137-193(103,104)105)155-84-71(169-197(115,116)117)59(165-187-180-173-93)47(36(148-84)26-139-195(109,110)111)157-82-70(168-190-183-176-96)60(166-188-181-174-94)48(163-185-178-171-91)37(149-82)27-140-196(112,113)114/h28-71,74-84,90-96H,19-27,85H2,1-18H3,(H,86,87)(H,88,89)(H,97,98,99)(H,100,101,102)(H,103,104,105)(H,106,107,108)(H,109,110,111)(H,112,113,114)(H,115,116,117)/t28-,29+,30+,31?,32?,33?,34?,35+,36+,37+,38?,39+,40?,41-,42+,43+,44-,45-,46+,47+,48+,49+,50?,51?,52-,53-,54-,55?,56+,57-,58?,59?,60?,61?,62+,63?,64?,65?,66?,67?,68?,69?,70?,71?,74-,75+,76+,77+,78-,79-,80-,81+,82+,83+,84+/m0/s1.

What are the key properties of (3R,4S,6R)-3-[(2S,4R,5R)-3-amino-5-[(2R,5R,6R)-5-[(2R,5R,6R)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-3-sulfooxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,6R)-6-[(2R,3S,6S)-2-carboxy-4,5-dimethoxy-6-[(3R,4S,6R)-6-methoxy-4-methyl-2-(sulfooxymethyl)-5-(trioxidanylsulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-2-(sulfooxymethyl)-4,5-bis(trioxidanylsulfanyloxy)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid?

(3R,4S,6R)-3-[(2S,4R,5R)-3-amino-5-[(2R,5R,6R)-5-[(2R,5R,6R)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-3-sulfooxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,6R)-6-[(2R,3S,6S)-2-carboxy-4,5-dimethoxy-6-[(3R,4S,6R)-6-methoxy-4-methyl-2-(sulfooxymethyl)-5-(trioxidanylsulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-2-(sulfooxymethyl)-4,5-bis(trioxidanylsulfanyloxy)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid has a molecular weight of 3185.93 g/mol, XLogP of -6.58, 90 rotatable bonds, 17 hydrogen bond donors, and 97 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,6R)-3-[(2S,4R,5R)-3-amino-5-[(2R,5R,6R)-5-[(2R,5R,6R)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-3-sulfooxy-6-(sulfooxymethyl)-5-[(2R,5R,6R)-6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,6R)-6-[(2R,3S,6S)-2-carboxy-4,5-dimethoxy-6-[(3R,4S,6R)-6-methoxy-4-methyl-2-(sulfooxymethyl)-5-(trioxidanylsulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-2-(sulfooxymethyl)-4,5-bis(trioxidanylsulfanyloxy)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid is sourced from PubChem (CID 59010944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).