GD132197

Name:

Meehanine I

Formula:

C38H61O14N3

Smiles:

CCC(C)C(=O)OCC1OC(OC2C(Oc3ccc(C4CC(O)=NCCCN(C(=O)C(C)CC)CC(O)CCN4)cc3)OC(C)C(O)C2O)C(O)C(O)C1O

Aglycone:

CCC(C)C(=O)N1CCCN=C(O)CC(c2ccc(O)cc2)NCCC(O)C1.CCC(C)C(=O)OC

Sugarmoiety:

CC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0246348

AD17547

Formula: C6H12O2

Smiles:

CCC(C)C(=O)OC

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.83
AlogP:	1.21	Num_rotatable_bonds:	2
MolWt:	116.16	Num_heavy_atoms:	8
TPSA:	26.3	NumAromaticRings:	0

AD53516

Formula: C21H33O4N3

Smiles:

CCC(C)C(=O)N1CCCN=C(O)CC(c2ccc(O)cc2)NCCC(O)C1

HBA:	7	RingCount:	2
HBD:	4	FractionCSP3:	0.62
AlogP:	2.4	Num_rotatable_bonds:	3
MolWt:	391.51	Num_heavy_atoms:	28
TPSA:	105.39	NumAromaticRings:	1