Methyl guanidylfungin A
AlkaPlorer ID: AK061162
Synonym: None
IUPAC Name: 3-[[5,7,9,19,23,25,27,31,34,35-decahydroxy-33-methoxy-8,10,14,18,22,26,30-heptamethyl-15-[4-methyl-10-[(N'-methylcarbamimidoyl)amino]dec-4-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,20-dien-3-yl]oxy]-3-oxopropanoic acid
Structure
SMILES: CN=C(N)NCCCCCC=C(C)CC(C)C1OC(=O)C(C)C(O)C=CC(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(OC)OC(CC(OC(=O)CC(=O)O)CC(O)CC(O)C(C)C(O)C(C)=CCCC1C)CC(O)C2O
InChI: InChI=1S/C59H105N3O18/c1-33(17-14-12-13-15-24-62-58(60)61-10)25-38(6)55-37(5)19-16-18-36(4)54(74)40(8)48(67)27-42(63)26-43(78-53(73)31-52(71)72)28-44-29-50(69)56(75)59(77-11,80-44)32-51(70)35(3)21-22-45(64)39(7)49(68)30-47(66)34(2)20-23-46(65)41(9)57(76)79-55/h17-18,20,23,34-35,37-51,54-56,63-70,74-75H,12-16,19,21-22,24-32H2,1-11H3,(H,71,72)(H3,60,61,62)
InChIKey: LZSIHDMKMIMURT-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 1144.4920000000002
TPSA？: 361.0700000000001
MolLogP？: 3.9359000000000095
Number of H-Donors: 13
Number of H-Acceptors: 18
RingCount: 2
Activities Information
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