N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(2R,3R,4R,5S,6S,7R)-4,5,6-trihydroxy-9-oxo-13,15-dioxa-8-azatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1(10),11,16-trien-3-yl]oxy}oxan-3-yl]acetamide
AlkaPlorer ID: AK130892
Synonym: None
IUPAC Name: N-[(2R,3R,4R,5S,6R)-2-[[(1R,2R,3S,4S,4aR,11bR)-2,3,4-trihydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-1-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Structure
SMILES: CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H]3N=C(O)C4=CC5=C(C=C4[C@H]32)OCO5)O[C@H](CO)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C22H28N2O12/c1-6(26)23-14-17(29)15(27)11(4-25)35-22(14)36-20-12-7-2-9-10(34-5-33-9)3-8(7)21(32)24-13(12)16(28)18(30)19(20)31/h2-3,11-20,22,25,27-31H,4-5H2,1H3,(H,23,26)(H,24,32)/t11-,12-,13-,14-,15-,16+,17-,18+,19-,20-,22+/m1/s1
InChIKey: ZKEDMBZVTNWHFA-FOMFKUNXSA-N
Source
Properties Information
Molecule Weight: 512.4680000000003
TPSA？: 223.48
MolLogP？: -2.5487999999999977
Number of H-Donors: 8
Number of H-Acceptors: 12
RingCount: 5
Activities Information
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