Catalog Number:
AG002V95
Chemical Name:
Daun02
CAS Number:
290304-24-4
Molecular Formula:
C41H44N2O20
Molecular Weight:
884.7895
MDL Number:
MFCD22124459
IUPAC Name:
[3-nitro-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl N-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]carbamate
InChI:
InChI=1S/C41H44N2O20/c1-15-31(46)20(42-40(54)59-14-17-7-8-22(21(9-17)43(56)57)62-39-38(53)37(52)34(49)25(13-44)63-39)10-26(60-15)61-24-12-41(55,16(2)45)11-19-28(24)36(51)30-29(33(19)48)32(47)18-5-4-6-23(58-3)27(18)35(30)50/h4-9,15,20,24-26,31,34,37-39,44,46,48-49,51-53,55H,10-14H2,1-3H3,(H,42,54)/t15-,20-,24-,25+,26-,31+,34-,37-,38+,39+,41-/m0/s1
InChI Key:
BOIXMGNMIWJAEW-LCTCPDETSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccc(cc2[N+](=O)[O-])COC(=O)N[C@H]2C[C@@H](O[C@H]([C@H]2O)C)O[C@H]2C[C@@](O)(Cc3c2c(O)c2c(c3O)C(=O)c3c(C2=O)c(OC)ccc3)C(=O)C)[C@@H]([C@H]([C@H]1O)O)O
