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

AlkaPlorer ID: AK294491

Synonym: Metachelin A

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)[O-]

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InChI: InChI=1S/C47H78N6O23/c1-26(12-18-72-45(67)31(53(4,5)71)11-8-17-52(70)36(58)23-28(3)14-20-74-47-42(64)40(62)38(60)33(25-55)76-47)21-34(56)50(68)15-6-9-29-43(65)49-30(44(66)48-29)10-7-16-51(69)35(57)22-27(2)13-19-73-46-41(63)39(61)37(59)32(24-54)75-46/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: SVXOUISIUFHSDS-YNVMDZLWSA-N

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Reference

CAS: 1617538-56-3

Source

Properties Information

Molecule Weight: 1095.16

TPSA: 427.9400000000001

MolLogP: -3.908199999999998

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