GD024601

Name:

None

Formula:

C49H78O26N4

Smiles:

CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[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]2O)[C@@H](CO)O[C@H]1OCCCCCCNC(=O)[C@H]1CC[C@@H](CN2C(=O)C=CC2=O)CC1

Aglycone:

CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.O=C(NCCCCCCO)C1CCC(CN2C(=O)C=CC2=O)CC1

Sugarmoiety:

CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O

Other Identifiers

• CHEMBL3215417

AD00077

Formula: C11H19O9N

Smiles:

CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO

HBA:	10	RingCount:	1
HBD:	7	FractionCSP3:	0.82
AlogP:	-3.87	Num_rotatable_bonds:	5
MolWt:	309.27	Num_heavy_atoms:	21
TPSA:	176.78	NumAromaticRings:	0

AD16396

Formula: C18H28O4N2

Smiles:

O=C(NCCCCCCO)C1CCC(CN2C(=O)C=CC2=O)CC1

HBA:	6	RingCount:	2
HBD:	2	FractionCSP3:	0.72
AlogP:	1.39	Num_rotatable_bonds:	9
MolWt:	336.43	Num_heavy_atoms:	24
TPSA:	86.71	NumAromaticRings:	0