Cycleanine

Cycleanine
Compound Structure:
Synonyms: (11R,26R)-4,5,19,20-tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene
Compound ID: NMPC-907
PubChem ID:

121313
Molecular Formula: C38H42N2O6
Canonical SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5OC)OC)C)OC)OC
InChIKey: ANOXEUSGZWSCQL-LOYHVIPDSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

622.7 g/mol

XLogP3-AA

6.7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

8

Rotatable Bond Count

4

Exact Mass

622.30428706 g/mol

Monoisotopic Mass

622.30428706 g/mol

Topological Polar Surface Area

61.9Ų

Heavy Atom Count

46

Formal Charge

0

Complexity

895

Isotope Atom Count

0

Defined Atom Stereocenter Count

2

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                                                             
Source Species: Triclisia subcordata
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