GD126149

Name:

Meehanine D

Formula:

C44H55O15N3

Smiles:

CC(=O)OC1CCNC(c2ccc(OC3OC(C)C(O)C(O)C3OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O)cc2)CC(O)=NCCCN(C(=O)c2ccccc2)C1

Aglycone:

CC(=O)OC1CCNC(c2ccc(O)cc2)CC(O)=NCCCN(C(=O)c2ccccc2)C1.COC(=O)c1ccccc1

Sugarmoiety:

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

Other Identifiers

• CNP0279356

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

AD51028

Formula: C25H31O5N3

Smiles:

CC(=O)OC1CCNC(c2ccc(O)cc2)CC(O)=NCCCN(C(=O)c2ccccc2)C1

HBA:	8	RingCount:	3
HBD:	3	FractionCSP3:	0.4
AlogP:	3.24	Num_rotatable_bonds:	3
MolWt:	453.54	Num_heavy_atoms:	33
TPSA:	111.46	NumAromaticRings:	2