GD139097

Name:

Meehanine J

Formula:

C40H61O15N3

Smiles:

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

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0357761

AD45211

Formula: C23H35O5N3

Smiles:

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

HBA:	8	RingCount:	2
HBD:	3	FractionCSP3:	0.61
AlogP:	2.97	Num_rotatable_bonds:	4
MolWt:	433.55	Num_heavy_atoms:	31
TPSA:	111.46	NumAromaticRings:	1

AD45418

Formula: C6H10O2

Smiles:

CC=C(C)C(=O)OC

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.5
AlogP:	1.13	Num_rotatable_bonds:	1
MolWt:	114.14	Num_heavy_atoms:	8
TPSA:	26.3	NumAromaticRings:	0