GD023252

Name:

None

Formula:

C40H45O14N

Smiles:

CC(=O)OC[C@@H]1O[C@H](ON=C(C)CCC(=O)OC[C@@H]2O[C@H](C#Cc3ccccc3)C=C[C@H]2Oc2ccc(C)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(CCC(=O)OCC1OC(C#Cc2ccccc2)C=CC1Oc1ccc(C)cc1)=NO.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL1495634

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

AD15563

Formula: C26H27O5N

Smiles:

CC(CCC(=O)OCC1OC(C#Cc2ccccc2)C=CC1Oc1ccc(C)cc1)=NO

HBA:	6	RingCount:	3
HBD:	1	FractionCSP3:	0.31
AlogP:	4.29	Num_rotatable_bonds:	7
MolWt:	433.5	Num_heavy_atoms:	32
TPSA:	77.35	NumAromaticRings:	2