6,20,25-Trimethoxy-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-1(30),3(35),4,6,8,10,12(34),14,18,20,22(33),24,26,31-tetradecaene-9,21-diol

PubChem CID: 10579074

Connections displayed (default: 10).

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Topological Polar Surface Area	102.0
Hydrogen Bond Donor Count	2.0
Heavy Atom Count	43.0
Isotope Atom Count	0.0
Molecular Complexity	1040.0
Database Name	cmaup_ingredients;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	6,20,25-trimethoxy-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-1(30),3(35),4,6,8,10,12(34),14,18,20,22(33),24,26,31-tetradecaene-9,21-diol
Prediction Hob	0.0
Xlogp	5.0
Molecular Formula	C35H32N2O6
Prediction Swissadme	0.0
Inchi Key	XFBNCBBULBPNCL-UHFFFAOYSA-N
Fcsp3	0.2571428571428571
Logs	-7.184
Rotatable Bond Count	3.0
Logd	3.813
Compound Name	6,20,25-Trimethoxy-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-1(30),3(35),4,6,8,10,12(34),14,18,20,22(33),24,26,31-tetradecaene-9,21-diol
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	-6.773947055813956
Inchi	InChI=1S/C35H32N2O6/c1-40-29-7-5-20-13-25(29)24-12-19(4-6-28(24)38)15-27-33-22(9-11-37-27)17-32(42-3)34(39)35(33)43-31-18-23-21(16-30(31)41-2)8-10-36-26(23)14-20/h4-7,12-13,16-18,38-39H,8-11,14-15H2,1-3H3
Smiles	COC1=C2C=C(CC3=NCCC4=CC(=C(C=C43)OC5=C6C(=CC(=C5O)OC)CCN=C6CC7=CC2=C(C=C7)O)OC)C=C1
Nring	7.0
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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