GD034876

Name:

None

Formula:

C36H38O15N4

Smiles:

CC[C@]1(OC(=O)NCCO[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(N)=O)[C@H]2OC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1

Aglycone:

CCC1(OC(=O)NCCO)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(N)=O

Other Identifiers

• CHEMBL4800435

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

AD07323

Formula: C23H21O6N3

Smiles:

CCC1(OC(=O)NCCO)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1

HBA:	9	RingCount:	5
HBD:	2	FractionCSP3:	0.3
AlogP:	1.81	Num_rotatable_bonds:	4
MolWt:	435.44	Num_heavy_atoms:	32
TPSA:	119.75	NumAromaticRings:	3