GD116884

Name:

Maejaposide E

Formula:

C70H110O32

Smiles:

CC=C(C)C(=O)OC1C(OC(=O)C=CCCC)C23C(O)CC4(C)C5(C)CCC6C(C)(C)C(OC7OC(C(=O)O)C(O)C(OC8OC(CO)C(O)C(O)C8OC8OC(C)C(O)C(O)C8OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)CCC6(C)C5CCC4(OC2O)C3CC1(C)C

Aglycone:

CC=C(C)C(=O)OC1C(OC(=O)C=CCCC)C23C(O)CC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC4(OC2O)C3CC1(C)C

Sugarmoiety:

CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0081279

AD46505

Formula: C41H64O8

Smiles:

CC=C(C)C(=O)OC1C(OC(=O)C=CCCC)C23C(O)CC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC4(OC2O)C3CC1(C)C

HBA:	8	RingCount:	6
HBD:	3	FractionCSP3:	0.85
AlogP:	7.04	Num_rotatable_bonds:	6
MolWt:	684.96	Num_heavy_atoms:	49
TPSA:	122.52	NumAromaticRings:	0