Kijanimicin; 9-O-Deglycosyl 

AlkaPlorer ID: AK303599

Synonym: None

IUPAC Name: None

Structure

SMILES: COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C)C(CO)=CC4C=C2C)OC3=O)CC1(C)[N+](=O)[O-]

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InChI: InChI=1S/C42H58N2O12/c1-20-10-13-30(55-31-18-40(7,44(51)52)35(25(6)54-31)43-39(50)53-9)21(2)15-27-16-26(19-45)24(5)17-42(27)37(48)32(38(49)56-42)36(47)41(8)29(20)12-11-28-33(41)22(3)14-23(4)34(28)46/h10-12,15-16,22-25,27-31,33-35,45-46,48H,13-14,17-19H2,1-9H3,(H,43,50)

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InChIKey: MLFFTLJFBITXTG-UHFFFAOYSA-N

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Reference

CAS: 78798-21-7

Source

Properties Information

Molecule Weight: 782.928

TPSA: 203.99

MolLogP: 5.275800000000005

Number of H-Donors: 4

Number of H-Acceptors: 12

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information