20,21,25-Trimethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),14,18,20,22(33),24,26,31-tetradecaen-6-ol

PubChem CID: 10325829

Connections displayed (default: 10).

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Topological Polar Surface Area	91.1
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	43.0
Isotope Atom Count	0.0
Molecular Complexity	1010.0
Database Name	cmaup_ingredients;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	20,21,25-trimethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),14,18,20,22(33),24,26,31-tetradecaen-6-ol
Prediction Hob	0.0
Xlogp	5.2
Molecular Formula	C35H32N2O6
Prediction Swissadme	0.0
Inchi Key	CHBVIBICEXFYEU-UHFFFAOYSA-N
Fcsp3	0.2571428571428571
Logs	-7.843
Rotatable Bond Count	3.0
Logd	3.78
Compound Name	20,21,25-Trimethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),14,18,20,22(33),24,26,31-tetradecaen-6-ol
Prediction Hob Swissadme	0.0
Exact Mass	576.226
Formal Charge	0.0
Monoisotopic Mass	576.226
Hydrogen Bond Acceptor Count	8.0
Molecular Weight	576.6
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Esol	-6.9314470558139565
Inchi	InChI=1S/C35H32N2O6/c1-39-30-17-22-10-12-36-26-15-21-6-9-28(38)29(16-21)42-24-7-4-20(5-8-24)14-27-33-23(11-13-37-27)18-32(40-2)34(41-3)35(33)43-31(30)19-25(22)26/h4-9,16-19,38H,10-15H2,1-3H3
Smiles	COC1=C2C=C3C(=C1)CCN=C3CC4=CC(=C(C=C4)O)OC5=CC=C(CC6=NCCC7=CC(=C(C(=C76)O2)OC)OC)C=C5
Nring	8.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Euscaphis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients
2. Outgoing r'ship FOUND_IN to/from Guatteria Boliviana (Plant) Rel Props:Source_db:cmaup_ingredients
3. Outgoing r'ship FOUND_IN to/from Tabernaemontana Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients

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