Pradimicin A; N-De-Me
AlkaPlorer ID: AK310919
Synonym: Benanomicin B, BU 3608C, Antibiotic BU 3608C, Pradimicin C
IUPAC Name: 2-[[5-[5-amino-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
Structure
SMILES: COC1=CC(O)=C2C(=O)C3=CC4=C(C(O)=C3C(=O)C2=C1)C1=C(O)C(C(=O)NC(C)C(=O)O)=C(C)C=C1C(OC1OC(C)C(N)C(OC2OCC(O)C(O)C2O)C1O)C4O
InChI: InChI=1S/C39H42N2O18/c1-10-5-17-23(30(48)20(10)36(52)41-11(2)37(53)54)22-15(8-16-24(31(22)49)27(45)14-6-13(55-4)7-18(42)21(14)26(16)44)28(46)34(17)58-39-33(51)35(25(40)12(3)57-39)59-38-32(50)29(47)19(43)9-56-38/h5-8,11-12,19,25,28-29,32-35,38-39,42-43,46-51H,9,40H2,1-4H3,(H,41,52)(H,53,54)
InChIKey: IHIIRQILYAXIOH-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 826.7610000000004
TPSA？: 334.55
MolLogP？: -0.8723799999999984
Number of H-Donors: 11
Number of H-Acceptors: 18
RingCount: 7
Activities Information
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