(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-6',7,21,22,30-pentamethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one

C121H136N14O22S3 — CID 162057931

About (1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-6',7,21,22,30-pentamethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one

(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-6',7,21,22,30-pentamethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one (PubChem CID 162057931) has the molecular formula C121H136N14O22S3 and a molecular weight of 2234.70 g/mol. Its IUPAC name is (1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-6',7,21,22,30-pentamethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one.

Molecular Properties

• Compound Name: (1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-6',7,21,22,30-pentamethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one
• PubChem CID: 162057931
• Molecular Formula: C121H136N14O22S3
• Molecular Weight: 2234.70 g/mol
• Exact Mass: 2232.91
• IUPAC Name: (1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-6',7,21,22,30-pentamethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one
• SMILES: COc1c(C)cc2c(c1O)[C@@H]1[C@@H]3[C@@H]4SC[C@]5(N[C@@H](CN)Cc6c5[nH]c5ccc(C)cc65)C(=O)OC[C@@H](c5c6c(c(C)c(C)c54)OCO6)N3[C@@H](O)[C@H](C2)N1C.COc1c(C)cc2c(c1O)[C@@H]1[C@@H]3[C@@H]4SC[C@]5(N[C@@H](CN)Cc6c5[nH]c5ccccc65)C(=O)OC[C@@H](c5c6c(c(C)c(C)c54)OCO6)N3[C@@H](O)[C@H](C2)N1C.COc1c(C)cc2c(c1O)[C@@H]1[C@@H]3[C@@H]4SC[C@]5(N[C@@H](CN)Cc6c5oc5ccccc65)C(=O)OC[C@@H](c5c6c(c(C)c(C)c54)OCO6)N3[C@@H](O)[C@H](C2)N1C
• InChI: InChI=1S/C41H47N5O7S.C40H45N5O7S.C40H44N4O8S/c1-17-7-8-25-23(9-17)24-12-22(13-42)44-41(38(24)43-25)15-54-37-28-19(3)20(4)35-36(53-16-52-35)30(28)27(14-51-40(41)49)46-32(37)31-29-21(11-26(39(46)48)45(31)5)10-18(2)34(50-6)33(29)47;1-17-10-20-11-25-38(47)45-26-14-50-39(48)40(37-23(12-21(13-41)43-40)22-8-6-7-9-24(22)42-37)15-53-36(27-18(2)19(3)34-35(29(26)27)52-16-51-34)31(45)30(44(25)4)28(20)32(46)33(17)49-5;1-17-10-20-11-24-38(46)44-25-14-49-39(47)40(37-23(12-21(13-41)42-40)22-8-6-7-9-26(22)52-37)15-53-36(27-18(2)19(3)34-35(29(25)27)51-16-50-34)31(44)30(43(24)4)28(20)32(45)33(17)48-5/h7-10,22,26-27,31-32,37,39,43-44,47-48H,11-16,42H2,1-6H3;6-10,21,25-26,30-31,36,38,42-43,46-47H,11-16,41H2,1-5H3;6-10,21,24-25,30-31,36,38,42,45-46H,11-16,41H2,1-5H3/t22-,26+,27+,31-,32-,37-,39+,41-;21-,25+,26+,30-,31-,36-,38+,40-;21-,24+,25+,30-,31-,36-,38+,40-/m111/s1
• InChIKey: YZKXDJJYQZJNIR-DRFJGASWSA-N
• XLogP: 12.25
• TPSA: 461.66 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 37
• Rotatable Bonds: 6
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2234.70
LogP ≤ 5	12.25
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-6',7,21,22,30-pentamethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one?

The IUPAC name of (1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-6',7,21,22,30-pentamethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one (CID 162057931) is (1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-6',7,21,22,30-pentamethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one.

What is the SMILES notation for (1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-6',7,21,22,30-pentamethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one?

The canonical SMILES for (1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-6',7,21,22,30-pentamethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one is COc1c(C)cc2c(c1O)[C@@H]1[C@@H]3[C@@H]4SC[C@]5(N[C@@H](CN)Cc6c5[nH]c5ccc(C)cc65)C(=O)OC[C@@H](c5c6c(c(C)c(C)c54)OCO6)N3[C@@H](O)[C@H](C2)N1C.COc1c(C)cc2c(c1O)[C@@H]1[C@@H]3[C@@H]4SC[C@]5(N[C@@H](CN)Cc6c5[nH]c5ccccc65)C(=O)OC[C@@H](c5c6c(c(C)c(C)c54)OCO6)N3[C@@H](O)[C@H](C2)N1C.COc1c(C)cc2c(c1O)[C@@H]1[C@@H]3[C@@H]4SC[C@]5(N[C@@H](CN)Cc6c5oc5ccccc65)C(=O)OC[C@@H](c5c6c(c(C)c(C)c54)OCO6)N3[C@@H](O)[C@H](C2)N1C.

What is the InChIKey of (1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-6',7,21,22,30-pentamethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one?

The InChIKey is YZKXDJJYQZJNIR-DRFJGASWSA-N. The full InChI is InChI=1S/C41H47N5O7S.C40H45N5O7S.C40H44N4O8S/c1-17-7-8-25-23(9-17)24-12-22(13-42)44-41(38(24)43-25)15-54-37-28-19(3)20(4)35-36(53-16-52-35)30(28)27(14-51-40(41)49)46-32(37)31-29-21(11-26(39(46)48)45(31)5)10-18(2)34(50-6)33(29)47;1-17-10-20-11-25-38(47)45-26-14-50-39(48)40(37-23(12-21(13-41)43-40)22-8-6-7-9-24(22)42-37)15-53-36(27-18(2)19(3)34-35(29(26)27)52-16-51-34)31(45)30(44(25)4)28(20)32(46)33(17)49-5;1-17-10-20-11-24-38(46)44-25-14-49-39(47)40(37-23(12-21(13-41)42-40)22-8-6-7-9-26(22)52-37)15-53-36(27-18(2)19(3)34-35(29(25)27)51-16-50-34)31(44)30(43(24)4)28(20)32(45)33(17)48-5/h7-10,22,26-27,31-32,37,39,43-44,47-48H,11-16,42H2,1-6H3;6-10,21,25-26,30-31,36,38,42-43,46-47H,11-16,41H2,1-5H3;6-10,21,24-25,30-31,36,38,42,45-46H,11-16,41H2,1-5H3/t22-,26+,27+,31-,32-,37-,39+,41-;21-,25+,26+,30-,31-,36-,38+,40-;21-,24+,25+,30-,31-,36-,38+,40-/m111/s1.

What are the key properties of (1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-6',7,21,22,30-pentamethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one?

(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-6',7,21,22,30-pentamethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one has a molecular weight of 2234.70 g/mol, XLogP of 12.25, 6 rotatable bonds, 14 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-6',7,21,22,30-pentamethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine]-27-one;(1R,2R,3R,3'R,11S,12S,14R,26R)-3'-(aminomethyl)-5,12-dihydroxy-6-methoxy-7,21,22,30-tetramethylspiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-27-one is sourced from PubChem (CID 162057931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).