GD130123

Name:

mfth2-mft-5

Formula:

C56H89O38N

Smiles:

COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(Oc8ccc(CC9NC(O)=C(O)C9(C)C)cc8)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O

Aglycone:

CC1(C)C(O)=C(O)NC1Cc1ccc(O)cc1

Sugarmoiety:

COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0452426

AD45068

Formula: C13H17O3N

Smiles:

CC1(C)C(O)=C(O)NC1Cc1ccc(O)cc1

HBA:	4	RingCount:	2
HBD:	4	FractionCSP3:	0.38
AlogP:	2.22	Num_rotatable_bonds:	2
MolWt:	235.28	Num_heavy_atoms:	17
TPSA:	72.72	NumAromaticRings:	1