Isofistularin

Compound Structure:

Synonyms:

7,9-dibromo-N-[3-[2,6-dibromo-4-[2-[(7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl)amino]-1-hydroxyethyl]phenoxy]-2-hydroxypropyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide; Isofistularin-

Compound ID:

NMPC-1155

PubChem ID:

328951

Molecular Formula:

C31H30Br6N4O11

Canonical SMILES:

COC1=C(C(C2(CC(=NO2)C(=O)NCC(COC3=C(C=C(C=C3Br)C(CNC(=O)C4=NOC5(C4)C=C(C(=C(C5O)Br)OC)Br)O)Br)O)C=C1Br)O)Br

InChIKey:

TURTULDFIIAPTC-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	1114.0 g/mol
XLogP3-AA	1.8
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	12
Exact Mass	1113.69499 g/mol
Monoisotopic Mass	1107.70113 g/mol
Topological Polar Surface Area	210Å²
Heavy Atom Count	52
Formal Charge	0
Complexity	1610
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Landolphia owariensis

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