GD009339

Name:

None

Formula:

C34H44O13N4

Smiles:

CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)[C@H](C)NC(=O)OC(C)(C)C)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(NC(=O)OC(C)(C)C)C(=O)N1Cc2[nH]c3ccccc3c2CC1C(N)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

• CHEMBL2032053

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

AD07328

Formula: C20H26O4N4

Smiles:

CC(NC(=O)OC(C)(C)C)C(=O)N1Cc2[nH]c3ccccc3c2CC1C(N)=O

HBA:	8	RingCount:	3
HBD:	4	FractionCSP3:	0.45
AlogP:	1.82	Num_rotatable_bonds:	3
MolWt:	386.45	Num_heavy_atoms:	28
TPSA:	117.52	NumAromaticRings:	2