GD030383

Name:

None

Formula:

C52H85O22N5

Smiles:

CO[C@H]1[C@H](OC)[C@H](C)O[C@H](OC(=O)C[C@H](C)CC(=O)O[C@H](CCCCCCCCCC(C)C)CC(=O)O[C@@H]2CN(C)[C@H]([C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H]3O)[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)C(=O)N(C)[C@H]2C(=O)O)[C@@H]1OC

Aglycone:

CC(C)CCCCCCCCCC(CC(=O)OC1CN(C)C(CO)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

COC1C(C)OC(O)C(OC)C1OC.NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL510350

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

AD19662

Formula: C30H52O10N2

Smiles:

CC(C)CCCCCCCCCC(CC(=O)OC1CN(C)C(CO)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O

HBA:	12	RingCount:	1
HBD:	3	FractionCSP3:	0.83
AlogP:	3.09	Num_rotatable_bonds:	20
MolWt:	600.75	Num_heavy_atoms:	42
TPSA:	170.98	NumAromaticRings:	0