23363-35-1
4'-DEMETHYLEPIPODOPHYLLOTOXIN B-D-GLUCOPYRANOSIDE
Name4'-DEMETHYLEPIPODOPHYLLOTOXIN B-D-GLUCOPYRANOSIDE
1Identification
【Name】
4'-DEMETHYLEPIPODOPHYLLOTOXIN B-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD01725594
【English Synonyms】
【Formula】
C27 H30 O13
【MolWeight】
562.521
【Inchi】
InChI=1S/C27H30O13/c1-34-16-3-10(4-17(35-2)21(16)29)19-11-5-14-15(38-9-37-14)6-12(11)25(13-8-36-26(33)20(13)19)40-27-24(32)23(31)22(30)18(7-28)39-27/h3-6,13,18-20,22-25,27-32H,7-9H2,1-2H3/t13-,18+,19+,20-,22+,23-,24+,25+,27-/m0/s1
【InChIKey】
InChIKey=FOVRGQUEGRCWPD-BRLGUANISA-N
【SMILES】
COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@@H]2C(=O)OC5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OCO4
【MOL File】
4'-DEMETHYLEPIPODOPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:13
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4'-DEMETHYLEPIPODOPHYLLOTOXIN B-D-GLUCOPYRANOSIDE.cml