GD021306

Name:

None

Formula:

C30H35O13NS

Smiles:

CCOC(=O)C1(C(=O)OCC)C=C(c2ccccc2)N(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1=S

Aglycone:

CCOC(=O)C1(C(=O)OCC)C=C(c2ccccc2)NC1=S.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL1972333

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

AD14590

Formula: C16H17O4NS

Smiles:

CCOC(=O)C1(C(=O)OCC)C=C(c2ccccc2)NC1=S

HBA:	5	RingCount:	2
HBD:	1	FractionCSP3:	0.31
AlogP:	2.07	Num_rotatable_bonds:	5
MolWt:	319.38	Num_heavy_atoms:	22
TPSA:	64.63	NumAromaticRings:	1