GD017963

Name:

None

Formula:

C36H40O14N2

Smiles:

CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(N)c(NC(=O)c4ccc5c(c4)CCC(C)(C)O5)c(=O)oc3c2C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.Cc1c(O)ccc2c(N)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc12

Sugarmoiety:

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

Other Identifiers

• CHEMBL3290536

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

AD12756

Formula: C22H22O5N2

Smiles:

Cc1c(O)ccc2c(N)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc12

HBA:	7	RingCount:	4
HBD:	4	FractionCSP3:	0.27
AlogP:	3.75	Num_rotatable_bonds:	2
MolWt:	394.43	Num_heavy_atoms:	29
TPSA:	114.79	NumAromaticRings:	3