nympholide A

Compound Structure:

Synonyms:

(8S,11S,17S)-4,5,9,10,11,19,21,24-octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.12,6.18,12.022,26]octacosa-1(24),2,4,6(28),18,20,22(26)-heptaene-15,23-dione; Nympholide A

Compound ID:

NMPC-1335

PubChem ID:

44259437

Molecular Formula:

C30H26O15

Canonical SMILES:

C1C(C2=C(C=C(C3=C2OC(=C(C3=O)O)C4=CC(=C(C(=C4)OC5C(C(C(C(O5)COC1=O)O)O)O)O)O)O)O)C6=CC=C(C=C6)O

InChIKey:

GZTPVMNTZSEVRQ-JQTVVHERSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	626.5 g/mol
XLogP3-AA	1.1
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	1
Exact Mass	626.12717012 g/mol
Monoisotopic Mass	626.12717012 g/mol
Topological Polar Surface Area	253Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1140
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Nymphaea lotus

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