[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({7-methoxy-2-oxo-10-phenyl-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5(13),6,8,10-pentaen-8-yl}oxy)oxan-2-yl]methyl N-carbamoylcarbamate

AlkaPlorer ID: AK243878

Synonym: None

IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(7-methoxy-2-oxo-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-8-yl)oxy]oxan-2-yl]methyl N-carbamoylcarbamate

Structure

SMILES: COC1=CC2=C3C(=CC=C(C4=CC=CC=C4)C3=C1O[C@@H]1O[C@H](COC(O)=NC(=N)O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC2

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InChI: InChI=1S/C27H26N2O11/c1-36-16-9-13-10-37-24(33)15-8-7-14(12-5-3-2-4-6-12)19(18(13)15)23(16)40-25-22(32)21(31)20(30)17(39-25)11-38-27(35)29-26(28)34/h2-9,17,20-22,25,30-32H,10-11H2,1H3,(H3,28,29,34,35)/t17-,20-,21+,22-,25+/m1/s1

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InChIKey: PQDBGWUPROQGSM-FHBCLOHASA-N

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Properties Information

Molecule Weight: 554.5080000000002

TPSA: 200.58

MolLogP: 1.79557

Number of H-Donors: 6

Number of H-Acceptors: 10

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information