[1-acetyloxy-4-[[6-[[(1S,3S)-3-[(E)-N-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-C-(hydroxymethyl)carbonimidoyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]butyl] acetate;[1-acetyloxy-4-[[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]butyl] acetate;(7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-7-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;methane;hydroiodide

C141H164IN7O54 — CID 172953430

About [1-acetyloxy-4-[[6-[[(1S,3S)-3-[(E)-N-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-C-(hydroxymethyl)carbonimidoyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]butyl] acetate;[1-acetyloxy-4-[[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]butyl] acetate;(7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-7-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;methane;hydroiodide

[1-acetyloxy-4-[[6-[[(1S,3S)-3-[(E)-N-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-C-(hydroxymethyl)carbonimidoyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]butyl] acetate;[1-acetyloxy-4-[[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]butyl] acetate;(7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-7-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;methane;hydroiodide (PubChem CID 172953430) has the molecular formula C141H164IN7O54 and a molecular weight of 2947.76 g/mol. Its IUPAC name is [1-acetyloxy-4-[[6-[[(1S,3S)-3-[(E)-N-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-C-(hydroxymethyl)carbonimidoyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]butyl] acetate;[1-acetyloxy-4-[[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]butyl] acetate;(7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-7-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;methane;hydroiodide.

Molecular Properties

• Compound Name: [1-acetyloxy-4-[[6-[[(1S,3S)-3-[(E)-N-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-C-(hydroxymethyl)carbonimidoyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]butyl] acetate;[1-acetyloxy-4-[[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]butyl] acetate;(7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-7-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;methane;hydroiodide
• PubChem CID: 172953430
• Molecular Formula: C141H164IN7O54
• Molecular Weight: 2947.76 g/mol
• Exact Mass: 2945.93
• IUPAC Name: [1-acetyloxy-4-[[6-[[(1S,3S)-3-[(E)-N-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-C-(hydroxymethyl)carbonimidoyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]butyl] acetate;[1-acetyloxy-4-[[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]butyl] acetate;(7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-7-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;methane;hydroiodide
• SMILES: C.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1)C[C@@H]3OC1CC(NCCCC(OC(C)=O)OC(C)=O)C(O)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(N)C(O)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(N2C=CCC2)C(O)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(NCCCC(OC(C)=O)OC(C)=O)C(O)C(C)O1.I
• InChI: InChI=1S/C47H56N4O17.C35H41NO15.C31H33NO11.C27H29NO11.CH4.HI/c1-22-41(57)29(48-16-6-9-35(66-23(2)53)67-24(3)54)17-36(65-22)68-31-19-47(63,32(21-52)49-50-46(62)26-12-10-25(11-13-26)20-51-33(55)14-15-34(51)56)18-28-38(31)45(61)40-39(43(28)59)42(58)27-7-5-8-30(64-4)37(27)44(40)60;1-15-30(41)20(36-10-6-9-24(49-16(2)38)50-17(3)39)11-25(48-15)51-22-13-35(46,23(40)14-37)12-19-27(22)34(45)29-28(32(19)43)31(42)18-7-5-8-21(47-4)26(18)33(29)44;1-14-26(35)17(32-8-3-4-9-32)10-21(42-14)43-19-12-31(40,20(34)13-33)11-16-23(19)30(39)25-24(28(16)37)27(36)15-6-5-7-18(41-2)22(15)29(25)38;1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;;/h5,7-8,14-15,22,25-26,29,31,35-36,41,48,52,57,59,61,63H,6,9-13,16-21H2,1-4H3,(H,50,62);5,7-8,15,20,22,24-25,30,36-37,41,43,45-46H,6,9-14H2,1-4H3;3,5-8,14,17,19,21,26,33,35,37,39-40H,4,9-13H2,1-2H3;3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H4;1H/b49-32+;;;;;/t22?,25?,26?,29?,31-,36?,41?,47-;15?,20?,22-,25?,30?,35-;14?,17?,19-,21?,26?,31-;10?,13?,15-,17?,22?,27-;;/m0000../s1
• InChIKey: WVCFLJUGHRFJOZ-SDEMDRDRSA-N
• XLogP: 4.88
• TPSA: 940.49 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 59
• Rotatable Bonds: 39
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2947.76
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	59

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-acetyloxy-4-[[6-[[(1S,3S)-3-[(E)-N-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-C-(hydroxymethyl)carbonimidoyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]butyl] acetate;[1-acetyloxy-4-[[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]butyl] acetate;(7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-7-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;methane;hydroiodide?

The IUPAC name of [1-acetyloxy-4-[[6-[[(1S,3S)-3-[(E)-N-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-C-(hydroxymethyl)carbonimidoyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]butyl] acetate;[1-acetyloxy-4-[[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]butyl] acetate;(7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-7-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;methane;hydroiodide (CID 172953430) is [1-acetyloxy-4-[[6-[[(1S,3S)-3-[(E)-N-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-C-(hydroxymethyl)carbonimidoyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]butyl] acetate;[1-acetyloxy-4-[[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]butyl] acetate;(7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-7-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;methane;hydroiodide.

What is the SMILES notation for [1-acetyloxy-4-[[6-[[(1S,3S)-3-[(E)-N-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-C-(hydroxymethyl)carbonimidoyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]butyl] acetate;[1-acetyloxy-4-[[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]butyl] acetate;(7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-7-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;methane;hydroiodide?

The canonical SMILES for [1-acetyloxy-4-[[6-[[(1S,3S)-3-[(E)-N-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-C-(hydroxymethyl)carbonimidoyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]butyl] acetate;[1-acetyloxy-4-[[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]butyl] acetate;(7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-7-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;methane;hydroiodide is C.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1)C[C@@H]3OC1CC(NCCCC(OC(C)=O)OC(C)=O)C(O)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(N)C(O)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(N2C=CCC2)C(O)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(NCCCC(OC(C)=O)OC(C)=O)C(O)C(C)O1.I.

What is the InChIKey of [1-acetyloxy-4-[[6-[[(1S,3S)-3-[(E)-N-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-C-(hydroxymethyl)carbonimidoyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]butyl] acetate;[1-acetyloxy-4-[[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]butyl] acetate;(7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-7-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;methane;hydroiodide?

The InChIKey is WVCFLJUGHRFJOZ-SDEMDRDRSA-N. The full InChI is InChI=1S/C47H56N4O17.C35H41NO15.C31H33NO11.C27H29NO11.CH4.HI/c1-22-41(57)29(48-16-6-9-35(66-23(2)53)67-24(3)54)17-36(65-22)68-31-19-47(63,32(21-52)49-50-46(62)26-12-10-25(11-13-26)20-51-33(55)14-15-34(51)56)18-28-38(31)45(61)40-39(43(28)59)42(58)27-7-5-8-30(64-4)37(27)44(40)60;1-15-30(41)20(36-10-6-9-24(49-16(2)38)50-17(3)39)11-25(48-15)51-22-13-35(46,23(40)14-37)12-19-27(22)34(45)29-28(32(19)43)31(42)18-7-5-8-21(47-4)26(18)33(29)44;1-14-26(35)17(32-8-3-4-9-32)10-21(42-14)43-19-12-31(40,20(34)13-33)11-16-23(19)30(39)25-24(28(16)37)27(36)15-6-5-7-18(41-2)22(15)29(25)38;1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;;/h5,7-8,14-15,22,25-26,29,31,35-36,41,48,52,57,59,61,63H,6,9-13,16-21H2,1-4H3,(H,50,62);5,7-8,15,20,22,24-25,30,36-37,41,43,45-46H,6,9-14H2,1-4H3;3,5-8,14,17,19,21,26,33,35,37,39-40H,4,9-13H2,1-2H3;3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H4;1H/b49-32+;;;;;/t22?,25?,26?,29?,31-,36?,41?,47-;15?,20?,22-,25?,30?,35-;14?,17?,19-,21?,26?,31-;10?,13?,15-,17?,22?,27-;;/m0000../s1.

What are the key properties of [1-acetyloxy-4-[[6-[[(1S,3S)-3-[(E)-N-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-C-(hydroxymethyl)carbonimidoyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]butyl] acetate;[1-acetyloxy-4-[[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]butyl] acetate;(7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-7-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;methane;hydroiodide?

[1-acetyloxy-4-[[6-[[(1S,3S)-3-[(E)-N-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-C-(hydroxymethyl)carbonimidoyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]butyl] acetate;[1-acetyloxy-4-[[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]butyl] acetate;(7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-7-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;methane;hydroiodide has a molecular weight of 2947.76 g/mol, XLogP of 4.88, 39 rotatable bonds, 24 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for [1-acetyloxy-4-[[6-[[(1S,3S)-3-[(E)-N-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-C-(hydroxymethyl)carbonimidoyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]butyl] acetate;[1-acetyloxy-4-[[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]butyl] acetate;(7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-7-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;methane;hydroiodide is sourced from PubChem (CID 172953430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).