(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(3-aminocyclobutyl)methylamino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(2-amino-3-hydroxypropyl)amino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(2-hydroxyethylamino)methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(3-hydroxypropylamino)methyl]oxane-3,4,5-triol

C105H210N18O47 — CID 160571621

About (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(3-aminocyclobutyl)methylamino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(2-amino-3-hydroxypropyl)amino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(2-hydroxyethylamino)methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(3-hydroxypropylamino)methyl]oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(3-aminocyclobutyl)methylamino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(2-amino-3-hydroxypropyl)amino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(2-hydroxyethylamino)methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(3-hydroxypropylamino)methyl]oxane-3,4,5-triol (PubChem CID 160571621) has the molecular formula C105H210N18O47 and a molecular weight of 2476.91 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(3-aminocyclobutyl)methylamino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(2-amino-3-hydroxypropyl)amino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(2-hydroxyethylamino)methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(3-hydroxypropylamino)methyl]oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(3-aminocyclobutyl)methylamino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(2-amino-3-hydroxypropyl)amino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(2-hydroxyethylamino)methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(3-hydroxypropylamino)methyl]oxane-3,4,5-triol
• PubChem CID: 160571621
• Molecular Formula: C105H210N18O47
• Molecular Weight: 2476.91 g/mol
• Exact Mass: 2475.46
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(3-aminocyclobutyl)methylamino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(2-amino-3-hydroxypropyl)amino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(2-hydroxyethylamino)methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(3-hydroxypropylamino)methyl]oxane-3,4,5-triol
• SMILES: CNC1[C@@H](O)[C@@H](O[C@H]2[C@H](CCC(O)CN)C[C@H](N)C(O[C@H]3O[C@H](CNCC4CC(N)C4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)OC[C@]1(C)O.CNC1[C@@H](O)[C@@H](O[C@H]2[C@H](CCC(O)CN)C[C@H](N)C(O[C@H]3O[C@H](CNCCO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](CCC(O)CN)C[C@H](N)C(O[C@H]3O[C@H](CNCC(N)CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](CCC(O)CN)C[C@H](N)C(O[C@H]3O[C@H](CNCCCO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)OC[C@]1(C)O
• InChI: InChI=1S/C28H55N5O11.C26H53N5O12.C26H52N4O12.C25H50N4O12/c1-28(40)11-41-26(22(39)25(28)32-2)43-23-13(3-4-15(34)8-29)7-16(31)24(21(23)38)44-27-20(37)19(36)18(35)17(42-27)10-33-9-12-5-14(30)6-12;1-26(39)10-40-24(20(38)23(26)30-2)42-21-11(3-4-13(33)6-27)5-14(29)22(19(21)37)43-25-18(36)17(35)16(34)15(41-25)8-31-7-12(28)9-32;1-26(38)11-39-24(20(37)23(26)29-2)41-21-12(4-5-13(32)9-27)8-14(28)22(19(21)36)42-25-18(35)17(34)16(33)15(40-25)10-30-6-3-7-31;1-25(37)10-38-23(19(36)22(25)28-2)40-20-11(3-4-12(31)8-26)7-13(27)21(18(20)35)41-24-17(34)16(33)15(32)14(39-24)9-29-5-6-30/h12-27,32-40H,3-11,29-31H2,1-2H3;11-25,30-39H,3-10,27-29H2,1-2H3;12-25,29-38H,3-11,27-28H2,1-2H3;11-24,28-37H,3-10,26-27H2,1-2H3/t12?,13-,14?,15?,16+,17-,18-,19+,20-,21-,22-,23+,24?,25?,26-,27-,28+;11-,12?,13?,14+,15-,16-,17+,18-,19-,20-,21+,22?,23-,24-,25-,26+;12-,13?,14+,15-,16-,17+,18-,19-,20-,21+,22?,23-,24-,25-,26+;11-,12?,13+,14-,15-,16+,17-,18-,19-,20+,21?,22?,23-,24-,25+/m1111/s1
• InChIKey: RAPWEXSVXJXWCO-YPRGVXAUSA-N
• XLogP: -23.50
• TPSA: 1131.25 Ų
• H-Bond Donors: 49
• H-Bond Acceptors: 65
• Rotatable Bonds: 54
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2476.91
LogP ≤ 5	-23.50
H-Bond Donors ≤ 5	49
H-Bond Acceptors ≤ 10	65

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(3-aminocyclobutyl)methylamino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(2-amino-3-hydroxypropyl)amino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(2-hydroxyethylamino)methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(3-hydroxypropylamino)methyl]oxane-3,4,5-triol?

The IUPAC name of (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(3-aminocyclobutyl)methylamino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(2-amino-3-hydroxypropyl)amino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(2-hydroxyethylamino)methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(3-hydroxypropylamino)methyl]oxane-3,4,5-triol (CID 160571621) is (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(3-aminocyclobutyl)methylamino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(2-amino-3-hydroxypropyl)amino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(2-hydroxyethylamino)methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(3-hydroxypropylamino)methyl]oxane-3,4,5-triol.

What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(3-aminocyclobutyl)methylamino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(2-amino-3-hydroxypropyl)amino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(2-hydroxyethylamino)methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(3-hydroxypropylamino)methyl]oxane-3,4,5-triol?

The canonical SMILES for (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(3-aminocyclobutyl)methylamino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(2-amino-3-hydroxypropyl)amino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(2-hydroxyethylamino)methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(3-hydroxypropylamino)methyl]oxane-3,4,5-triol is CNC1[C@@H](O)[C@@H](O[C@H]2[C@H](CCC(O)CN)C[C@H](N)C(O[C@H]3O[C@H](CNCC4CC(N)C4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)OC[C@]1(C)O.CNC1[C@@H](O)[C@@H](O[C@H]2[C@H](CCC(O)CN)C[C@H](N)C(O[C@H]3O[C@H](CNCCO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](CCC(O)CN)C[C@H](N)C(O[C@H]3O[C@H](CNCC(N)CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](CCC(O)CN)C[C@H](N)C(O[C@H]3O[C@H](CNCCCO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)OC[C@]1(C)O.

What is the InChIKey of (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(3-aminocyclobutyl)methylamino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(2-amino-3-hydroxypropyl)amino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(2-hydroxyethylamino)methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(3-hydroxypropylamino)methyl]oxane-3,4,5-triol?

The InChIKey is RAPWEXSVXJXWCO-YPRGVXAUSA-N. The full InChI is InChI=1S/C28H55N5O11.C26H53N5O12.C26H52N4O12.C25H50N4O12/c1-28(40)11-41-26(22(39)25(28)32-2)43-23-13(3-4-15(34)8-29)7-16(31)24(21(23)38)44-27-20(37)19(36)18(35)17(42-27)10-33-9-12-5-14(30)6-12;1-26(39)10-40-24(20(38)23(26)30-2)42-21-11(3-4-13(33)6-27)5-14(29)22(19(21)37)43-25-18(36)17(35)16(34)15(41-25)8-31-7-12(28)9-32;1-26(38)11-39-24(20(37)23(26)29-2)41-21-12(4-5-13(32)9-27)8-14(28)22(19(21)36)42-25-18(35)17(34)16(33)15(40-25)10-30-6-3-7-31;1-25(37)10-38-23(19(36)22(25)28-2)40-20-11(3-4-12(31)8-26)7-13(27)21(18(20)35)41-24-17(34)16(33)15(32)14(39-24)9-29-5-6-30/h12-27,32-40H,3-11,29-31H2,1-2H3;11-25,30-39H,3-10,27-29H2,1-2H3;12-25,29-38H,3-11,27-28H2,1-2H3;11-24,28-37H,3-10,26-27H2,1-2H3/t12?,13-,14?,15?,16+,17-,18-,19+,20-,21-,22-,23+,24?,25?,26-,27-,28+;11-,12?,13?,14+,15-,16-,17+,18-,19-,20-,21+,22?,23-,24-,25-,26+;12-,13?,14+,15-,16-,17+,18-,19-,20-,21+,22?,23-,24-,25-,26+;11-,12?,13+,14-,15-,16+,17-,18-,19-,20+,21?,22?,23-,24-,25+/m1111/s1.

What are the key properties of (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(3-aminocyclobutyl)methylamino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(2-amino-3-hydroxypropyl)amino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(2-hydroxyethylamino)methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(3-hydroxypropylamino)methyl]oxane-3,4,5-triol?

(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(3-aminocyclobutyl)methylamino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(2-amino-3-hydroxypropyl)amino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(2-hydroxyethylamino)methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(3-hydroxypropylamino)methyl]oxane-3,4,5-triol has a molecular weight of 2476.91 g/mol, XLogP of -23.50, 54 rotatable bonds, 49 hydrogen bond donors, and 65 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(3-aminocyclobutyl)methylamino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[(2-amino-3-hydroxypropyl)amino]methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(2-hydroxyethylamino)methyl]oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-amino-4-(4-amino-3-hydroxybutyl)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(3-hydroxypropylamino)methyl]oxane-3,4,5-triol is sourced from PubChem (CID 160571621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).