Name: Dioscoreside E
Rating: 4 (6 reviews)

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HIT ID:HIT218679390
Cas No:
Common Name:Dioscoreside E
IUPAC:2-[4-(16-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-6,18-dien-6-yl)-4-methoxy-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:2-[4-(16-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-6,18-dien-6-yl)-4-methoxy-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI key:WSWNKHNNDHPGMZ-UHFFFAOYSA-N

Molecular Formula:C52H84O23
Molecular Weight:1077.221
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:COC(CC(C)COC1OC(CO)C(O)C(O)C1O)C1=C(C)C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(C)C(O)C(O)C2O)O1
SMILES:COC(CC(C)COC1OC(CO)C(O)C(O)C1O)C1=C(C)C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(C)C(O)C(O)C2O)O1

Dioscoreside E exhibits both cytotoxic and antifungal activities against a range of tumor cell lines.

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