GD002936

Name:

None

Formula:

C39H68O13N2

Smiles:

CCCC(=O)OC1C(C)OC(OC2C(C)OC(O[C@H]3[C@H](CCN)C[C@@H](C)[C@@H](O)C=CC=CC[C@@H](C)OC(=O)C[C@@H](O)[C@H]3OC)C(O)C2N(C)C)CC1(C)O

Aglycone:

CCCC(=O)O.COC1C(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

• CHEMBL92913

AD00922

Formula: C4H8O2

Smiles:

CCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	0.87	Num_rotatable_bonds:	2
MolWt:	88.11	Num_heavy_atoms:	6
TPSA:	37.3	NumAromaticRings:	0

AD02736

Formula: C20H35O6N

Smiles:

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

HBA:	7	RingCount:	1
HBD:	5	FractionCSP3:	0.75
AlogP:	0.91	Num_rotatable_bonds:	3
MolWt:	385.5	Num_heavy_atoms:	27
TPSA:	122.24	NumAromaticRings:	0