GD001071

Name:

None

Formula:

C38H42O15N2

Smiles:

CC(=O)OC[C@@H]1O[C@H](ON=C2C[C@H](O)[C@H](O)[C@H]3[C@@H]2CC[C@@H]2C(=O)N(c4cccc(Oc5ccccc5)c4)C(=O)[C@H]23)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C1C2CCC3C(=NO)CC(O)C(O)C3C2C(=O)N1c1cccc(Oc2ccccc2)c1

Sugarmoiety:

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

Other Identifiers

• CHEMBL1590601

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

AD01119

Formula: C24H24O6N2

Smiles:

O=C1C2CCC3C(=NO)CC(O)C(O)C3C2C(=O)N1c1cccc(Oc2ccccc2)c1

HBA:	8	RingCount:	5
HBD:	3	FractionCSP3:	0.38
AlogP:	2.57	Num_rotatable_bonds:	3
MolWt:	436.46	Num_heavy_atoms:	32
TPSA:	119.66	NumAromaticRings:	2