1-[2,2-bis[3-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]sulfanylpropoxymethyl]-4-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]butyl]-3-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]thiourea;1-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]-3-[3-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]-2-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]-2-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]propyl]thiourea

C117H210N4O64S10 — CID 159740465

About 1-[2,2-bis[3-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]sulfanylpropoxymethyl]-4-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]butyl]-3-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]thiourea;1-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]-3-[3-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]-2-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]-2-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]propyl]thiourea

1-[2,2-bis[3-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]sulfanylpropoxymethyl]-4-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]butyl]-3-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]thiourea;1-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]-3-[3-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]-2-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]-2-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]propyl]thiourea (PubChem CID 159740465) has the molecular formula C117H210N4O64S10 and a molecular weight of 3017.60 g/mol. Its IUPAC name is 1-[2,2-bis[3-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]sulfanylpropoxymethyl]-4-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]butyl]-3-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]thiourea;1-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]-3-[3-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]-2-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]-2-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]propyl]thiourea.

Molecular Properties

• Compound Name: 1-[2,2-bis[3-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]sulfanylpropoxymethyl]-4-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]butyl]-3-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]thiourea;1-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]-3-[3-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]-2-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]-2-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]propyl]thiourea
• PubChem CID: 159740465
• Molecular Formula: C117H210N4O64S10
• Molecular Weight: 3017.60 g/mol
• Exact Mass: 3015.05
• IUPAC Name: 1-[2,2-bis[3-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]sulfanylpropoxymethyl]-4-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]butyl]-3-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]thiourea;1-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]-3-[3-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]-2-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]-2-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]propyl]thiourea
• SMILES: OCC1O[C@@H](O[C@@H]2C(CO)O[C@@H](SCCCOCC(CCOCCCS[C@H]3OC(CO)[C@@H](O)[C@H](O)C3O)(CNC(=S)NCCSCC3O[C@@H]4O[C@@H]5C(CO)O[C@H](OCCCCC[C@H]3[C@H](O)C4O)C(O)[C@H]5O)COCCCS[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O)C4O)[C@H](O)C3O)C(O)[C@H]2O)C(O)C(O)[C@H]1O.OCC1O[C@H](SCCCOCC(CNC(=S)NCCSCC2O[C@@H]3O[C@@H]4C(CO)O[C@H](OCCCCC[C@H]2[C@H](O)C3O)C(O)[C@H]4O)(COCCCS[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)COCCCS[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C65H116N2O37S5.C52H94N2O27S5/c68-19-30-38(75)41(78)48(85)59(95-30)103-55-34(23-72)100-62(52(89)45(55)82)108-16-5-11-92-27-65(8-14-91-10-4-15-107-61-51(88)43(80)40(77)32(21-70)99-61,28-93-12-6-17-109-63-53(90)46(83)56(35(24-73)101-63)104-60-49(86)42(79)39(76)31(20-69)96-60)26-67-64(105)66-9-18-106-25-36-29-7-2-1-3-13-94-57-50(87)44(81)54(33(22-71)97-57)102-58(98-36)47(84)37(29)74;55-17-27-33(60)36(63)42(69)48(78-27)84-13-4-9-72-23-52(24-73-10-5-14-85-49-43(70)37(64)34(61)28(18-56)79-49,25-74-11-6-15-86-50-44(71)38(65)35(62)29(19-57)80-50)22-54-51(82)53-8-16-83-21-31-26-7-2-1-3-12-75-46-41(68)39(66)45(30(20-58)76-46)81-47(77-31)40(67)32(26)59/h29-63,68-90H,1-28H2,(H2,66,67,105);26-50,55-71H,1-25H2,(H2,53,54,82)/t29-,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+,65?;26-,27?,28?,29?,30?,31?,32+,33-,34-,35-,36+,37+,38+,39-,40?,41?,42?,43?,44?,45-,46+,47-,48-,49+,50+,52?/m11/s1
• InChIKey: NCJVULRXEKVLJB-JKWDXFNVSA-N
• XLogP: -17.03
• TPSA: 1078.84 Ų
• H-Bond Donors: 44
• H-Bond Acceptors: 74
• Rotatable Bonds: 71
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3017.60
LogP ≤ 5	-17.03
H-Bond Donors ≤ 5	44
H-Bond Acceptors ≤ 10	74

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis[3-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]sulfanylpropoxymethyl]-4-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]butyl]-3-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]thiourea;1-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]-3-[3-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]-2-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]-2-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]propyl]thiourea?

The IUPAC name of 1-[2,2-bis[3-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]sulfanylpropoxymethyl]-4-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]butyl]-3-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]thiourea;1-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]-3-[3-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]-2-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]-2-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]propyl]thiourea (CID 159740465) is 1-[2,2-bis[3-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]sulfanylpropoxymethyl]-4-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]butyl]-3-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]thiourea;1-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]-3-[3-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]-2-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]-2-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]propyl]thiourea.

What is the SMILES notation for 1-[2,2-bis[3-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]sulfanylpropoxymethyl]-4-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]butyl]-3-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]thiourea;1-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]-3-[3-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]-2-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]-2-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]propyl]thiourea?

The canonical SMILES for 1-[2,2-bis[3-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]sulfanylpropoxymethyl]-4-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]butyl]-3-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]thiourea;1-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]-3-[3-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]-2-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]-2-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]propyl]thiourea is OCC1O[C@@H](O[C@@H]2C(CO)O[C@@H](SCCCOCC(CCOCCCS[C@H]3OC(CO)[C@@H](O)[C@H](O)C3O)(CNC(=S)NCCSCC3O[C@@H]4O[C@@H]5C(CO)O[C@H](OCCCCC[C@H]3[C@H](O)C4O)C(O)[C@H]5O)COCCCS[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O)C4O)[C@H](O)C3O)C(O)[C@H]2O)C(O)C(O)[C@H]1O.OCC1O[C@H](SCCCOCC(CNC(=S)NCCSCC2O[C@@H]3O[C@@H]4C(CO)O[C@H](OCCCCC[C@H]2[C@H](O)C3O)C(O)[C@H]4O)(COCCCS[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)COCCCS[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(O)[C@@H](O)[C@@H]1O.

What is the InChIKey of 1-[2,2-bis[3-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]sulfanylpropoxymethyl]-4-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]butyl]-3-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]thiourea;1-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]-3-[3-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]-2-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]-2-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]propyl]thiourea?

The InChIKey is NCJVULRXEKVLJB-JKWDXFNVSA-N. The full InChI is InChI=1S/C65H116N2O37S5.C52H94N2O27S5/c68-19-30-38(75)41(78)48(85)59(95-30)103-55-34(23-72)100-62(52(89)45(55)82)108-16-5-11-92-27-65(8-14-91-10-4-15-107-61-51(88)43(80)40(77)32(21-70)99-61,28-93-12-6-17-109-63-53(90)46(83)56(35(24-73)101-63)104-60-49(86)42(79)39(76)31(20-69)96-60)26-67-64(105)66-9-18-106-25-36-29-7-2-1-3-13-94-57-50(87)44(81)54(33(22-71)97-57)102-58(98-36)47(84)37(29)74;55-17-27-33(60)36(63)42(69)48(78-27)84-13-4-9-72-23-52(24-73-10-5-14-85-49-43(70)37(64)34(61)28(18-56)79-49,25-74-11-6-15-86-50-44(71)38(65)35(62)29(19-57)80-50)22-54-51(82)53-8-16-83-21-31-26-7-2-1-3-12-75-46-41(68)39(66)45(30(20-58)76-46)81-47(77-31)40(67)32(26)59/h29-63,68-90H,1-28H2,(H2,66,67,105);26-50,55-71H,1-25H2,(H2,53,54,82)/t29-,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+,65?;26-,27?,28?,29?,30?,31?,32+,33-,34-,35-,36+,37+,38+,39-,40?,41?,42?,43?,44?,45-,46+,47-,48-,49+,50+,52?/m11/s1.

What are the key properties of 1-[2,2-bis[3-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]sulfanylpropoxymethyl]-4-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]butyl]-3-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]thiourea;1-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]-3-[3-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]-2-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]-2-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]propyl]thiourea?

1-[2,2-bis[3-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]sulfanylpropoxymethyl]-4-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]butyl]-3-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]thiourea;1-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]-3-[3-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]-2-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]-2-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]propyl]thiourea has a molecular weight of 3017.60 g/mol, XLogP of -17.03, 71 rotatable bonds, 44 hydrogen bond donors, and 74 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,2-bis[3-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]sulfanylpropoxymethyl]-4-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]butyl]-3-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]thiourea;1-[2-[[(1S,3S,6S,13S,16R,18S)-16,17,18,19-tetrahydroxy-15-(hydroxymethyl)-2,4,12,14-tetraoxatricyclo[11.2.2.23,6]nonadecan-5-yl]methylsulfanyl]ethyl]-3-[3-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxy]-2-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]-2-[3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropoxymethyl]propyl]thiourea is sourced from PubChem (CID 159740465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).