GD146550

Name:

None

Formula:

C41H44O11N2

Smiles:

CC(CC=Cc1ccccc1)C(CNCC1(O)C(Oc2ccc3c(c2)OCC(=C2C=CC(O)=C[CH-]2)C3=O)OC(C(=O)O)C(O)C1(O)C=O)CC1=CC[NH+]=C1

Aglycone:

CNCC(CC1=CC[NH+]=C1)C(C)CC=Cc1ccccc1.O=C1C(=C2C=CC(O)=C[CH-]2)COc2cc(O)ccc21

Sugarmoiety:

O=CC1(O)C(O)C(C(=O)O)OC(O)C1(O)O

Other Identifiers

• CNP0467820

AD45187

Formula: C15H11O4

Smiles:

O=C1C(=C2C=CC(O)=C[CH-]2)COc2cc(O)ccc21

HBA:	4	RingCount:	3
HBD:	2	FractionCSP3:	0.07
AlogP:	2.48	Num_rotatable_bonds:	0
MolWt:	255.25	Num_heavy_atoms:	19
TPSA:	66.76	NumAromaticRings:	1

AD50294

Formula: C19H27N2

Smiles:

CNCC(CC1=CC[NH+]=C1)C(C)CC=Cc1ccccc1

HBA:	2	RingCount:	2
HBD:	2	FractionCSP3:	0.42
AlogP:	2.04	Num_rotatable_bonds:	8
MolWt:	283.44	Num_heavy_atoms:	21
TPSA:	26.0	NumAromaticRings:	1