GD037086

Name:

None

Formula:

C61H111O21N3

Smiles:

CCCCCCCCCCCCCC=C[C@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO[C@@]3(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)NC(=O)CCCCCCCCCCCCCCCCC

Aglycone:

CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCC.COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1

Sugarmoiety:

CC(=O)NC1C(O)OC(CO)C(OC2OC(O)C(O)C(O)C2O)C1O

Other Identifiers

• CHEMBL4748153

AD04680

Formula: C12H21O9N

Smiles:

COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1

HBA:	10	RingCount:	1
HBD:	6	FractionCSP3:	0.83
AlogP:	-3.22	Num_rotatable_bonds:	6
MolWt:	323.3	Num_heavy_atoms:	22
TPSA:	165.78	NumAromaticRings:	0

AD06054

Formula: C36H71O3N

Smiles:

CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCC

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.92
AlogP:	10.34	Num_rotatable_bonds:	32
MolWt:	565.97	Num_heavy_atoms:	40
TPSA:	69.56	NumAromaticRings:	0