GD030365

Name:

None

Formula:

C30H43O13N5

Smiles:

CCCCCC(=O)O[C@@H]1[C@H](OC)[C@H]([C@H](O[C@@H]2OC(C(=O)N[C@@H]3CCC[C@H](C)NC3=O)=C[C@H](O)[C@H]2O)C(N)=O)O[C@H]1n1ccc(=O)[nH]c1=O

Aglycone:

CC1CCCC(NC(=O)C2=CC(O)C(O)C(OCC(N)=O)O2)C(=O)N1.CCCCCC(=O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

COC1C(O)OC(O)C1O

Other Identifiers

• CHEMBL318366

AD00106

Formula: C4H4O2N2

Smiles:

O=c1cc[nH]c(=O)[nH]1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.94	Num_rotatable_bonds:	0
MolWt:	112.09	Num_heavy_atoms:	8
TPSA:	65.72	NumAromaticRings:	1

AD00130

Formula: C6H12O2

Smiles:

CCCCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.83
AlogP:	1.65	Num_rotatable_bonds:	4
MolWt:	116.16	Num_heavy_atoms:	8
TPSA:	37.3	NumAromaticRings:	0

AD01318

Formula: C15H23O7N3

Smiles:

CC1CCCC(NC(=O)C2=CC(O)C(O)C(OCC(N)=O)O2)C(=O)N1

HBA:	10	RingCount:	2
HBD:	6	FractionCSP3:	0.67
AlogP:	-2.38	Num_rotatable_bonds:	5
MolWt:	357.36	Num_heavy_atoms:	25
TPSA:	160.21	NumAromaticRings:	0