GD034300

Name:

None

Formula:

C57H70O23N8

Smiles:

COc1cc(C=CC(=O)C=Cc2ccc(OCc3cn(CCO[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4NC(C)=O)nn3)c(OC)c2)ccc1OCc1cn(CCO[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)nn1

Aglycone:

COC(C)=O.COC(C)=O.COc1cc(C=CC(=O)C=Cc2ccc(OCc3cn(CCO)nn3)c(OC)c2)ccc1OCc1cn(CCO)nn1

Sugarmoiety:

CC(=O)NC1C(O)OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O.CC(=O)NC1C(O)OC(O)OC1OC(C)=O

Other Identifiers

• CHEMBL4171746

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD21817

Formula: C29H32O7N6

Smiles:

COc1cc(C=CC(=O)C=Cc2ccc(OCc3cn(CCO)nn3)c(OC)c2)ccc1OCc1cn(CCO)nn1

HBA:	13	RingCount:	4
HBD:	2	FractionCSP3:	0.28
AlogP:	2.33	Num_rotatable_bonds:	16
MolWt:	576.61	Num_heavy_atoms:	42
TPSA:	155.87	NumAromaticRings:	4