GD129012

Name:

Meehanine A

Formula:

C42H59O15N3

Smiles:

CCC(C)C(=O)N1CCCN=C(O)CC(c2ccc(OC3OC(C)C(O)C(O)C3OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O)cc2)NCCC(OC(C)=O)C1

Aglycone:

CCC(C)C(=O)N1CCCN=C(O)CC(c2ccc(O)cc2)NCCC(OC(C)=O)C1.COC(=O)c1ccccc1

Sugarmoiety:

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

Other Identifiers

• CNP0232128

AD00480

Formula: C8H8O2

Smiles:

COC(=O)c1ccccc1

HBA:	2	RingCount:	1
HBD:	0	FractionCSP3:	0.12
AlogP:	1.47	Num_rotatable_bonds:	1
MolWt:	136.15	Num_heavy_atoms:	10
TPSA:	26.3	NumAromaticRings:	1

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