GD035067

Name:

None

Formula:

C42H72O14N2

Smiles:

CO[C@H]1[C@H](OC(C)=O)CC(=O)O[C@@H](C)CC=CC=C[C@@H](O)[C@@H](C)C[C@@H](CCN)[C@H]1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)CC(C)C)C(C)O2)C(N(C)C)C1O

Aglycone:

CC(C)CC(=O)O.COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CCN)C1O

Sugarmoiety:

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1

Other Identifiers

• CHEMBL92513

AD00281

Formula: C5H10O2

Smiles:

CC(C)CC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.8
AlogP:	1.12	Num_rotatable_bonds:	2
MolWt:	102.13	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD22210

Formula: C22H37O7N

Smiles:

COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CCN)C1O

HBA:	8	RingCount:	1
HBD:	4	FractionCSP3:	0.73
AlogP:	1.48	Num_rotatable_bonds:	4
MolWt:	427.54	Num_heavy_atoms:	30
TPSA:	128.31	NumAromaticRings:	0