gynocardin

AlkaPlorer ID: AK319333

Synonym: None

IUPAC Name: (1S,4S,5R)-4,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile

Structure

SMILES: N#C[C@@]1(OC2OC(CO)C(O)C(O)C2O)C=C[C@H](O)[C@H]1O

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InChI: InChI=1S/C12H17NO8/c13-4-12(2-1-5(15)10(12)19)21-11-9(18)8(17)7(16)6(3-14)20-11/h1-2,5-11,14-19H,3H2/t5-,6?,7?,8?,9?,10+,11?,12-/m0/s1

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InChIKey: HASDUOHKNMHNJA-YJHGLXFCSA-N

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Reference

PubChem CID: 5458881

CAS: 14332-17-3

NPASS: NPC236689

Properties Information

Molecule Weight: 303.26700000000005

TPSA: 163.63

MolLogP: -3.64312

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information