N14-Deacetylcoprogen; N14,N14-Di-Me, 11',23-di-O-β-D-mannopyranoside 

AlkaPlorer ID: AK294489

Synonym: Metachelin B

IUPAC Name: None

Structure

SMILES: C/C(=C\C(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)/C=C(\C)CCOC2OC(CO)C(O)C(O)C2O)NC1=O)CCOC(=O)C(CCCN(O)C(=O)/C=C(\C)CCOC1OC(CO)C(O)C(O)C1O)N(C)C

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InChI: InChI=1S/C47H78N6O22/c1-26(12-18-71-45(67)31(50(4)5)11-8-17-53(70)36(58)23-28(3)14-20-73-47-42(64)40(62)38(60)33(25-55)75-47)21-34(56)51(68)15-6-9-29-43(65)49-30(44(66)48-29)10-7-16-52(69)35(57)22-27(2)13-19-72-46-41(63)39(61)37(59)32(24-54)74-46/h21-23,29-33,37-42,46-47,54-55,59-64,68-70H,6-20,24-25H2,1-5H3,(H,48,66)(H,49,65)/b26-21+,27-22+,28-23+

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InChIKey: UWLUBHNPXQOLDE-YNVMDZLWSA-N

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Reference

CAS: 1617538-58-5

Source

Properties Information

Molecule Weight: 1079.1609999999998

TPSA: 408.1200000000001

MolLogP: -3.920799999999997

Number of H-Donors: 13

Number of H-Acceptors: 23

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information