Phomachalasin A
AlkaPlorer ID: AK111442
Synonym: 'phomachalasin C', 'phomachalasin A'
IUPAC Name: (1S,4Z,7S,8R,9R,10R,11S,17R,19E,21S,22S,24S,25S,26S)-26-benzyl-8,9,22-trihydroxy-11-methoxy-17,24-dimethyl-23-methylidene-3,13,28-trioxo-2-oxa-27-azapentacyclo[19.7.0.01,25.06,12.07,10]octacosa-4,6(12),19-triene-7-carboxamide
Structure
SMILES: C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)N=C(O)[C@]23OC(=O)/C=C\C2=C(C(=O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O)[C@@H](OC)[C@H]1[C@@H](O)[C@H](O)[C@@]21C(=N)O
InChI: InChI=1S/C38H46N2O9/c1-19-10-8-14-24-31(43)21(3)20(2)29-25(18-22-12-6-5-7-13-22)40-36(47)38(24,29)49-27(42)17-16-23-28(26(41)15-9-11-19)33(48-4)30-32(44)34(45)37(23,30)35(39)46/h5-8,12-14,16-17,19-20,24-25,29-34,43-45H,3,9-11,15,18H2,1-2,4H3,(H2,39,46)(H,40,47)/b14-8+,17-16-/t19-,20+,24-,25-,29-,30+,31+,32+,33+,34-,37+,38+/m0/s1
InChIKey: ZYWWYGXERSNBPU-GWNQSWEGSA-N
Source
Properties Information
Molecule Weight: 674.7910000000005
TPSA？: 189.96
MolLogP？: 3.739070000000002
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 6
Activities Information
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