GD004885

Name:

None

Formula:

C42H76O14N2

Smiles:

CCCNC(=O)O[C@@H]1[C@H](C)O[C@H](O[C@H]2[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@@H](C)C(=O)[C@@H](C)C[C@](C)(OC)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@H]2C)C[C@]1(C)OC

Aglycone:

CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O.CCCNC(=O)O

Sugarmoiety:

COC1(C)CC(O)OC(C)C1O

Other Identifiers

• CHEMBL1668162

AD00774

Formula: C30H55O10N

Smiles:

CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O

HBA:	11	RingCount:	2
HBD:	4	FractionCSP3:	0.93
AlogP:	1.51	Num_rotatable_bonds:	5
MolWt:	589.77	Num_heavy_atoms:	41
TPSA:	155.22	NumAromaticRings:	0

AD04212

Formula: C4H9O2N

Smiles:

CCCNC(=O)O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.75
AlogP:	0.66	Num_rotatable_bonds:	2
MolWt:	103.12	Num_heavy_atoms:	7
TPSA:	49.33	NumAromaticRings:	0