GD015748

Name:

None

Formula:

C43H75O14N3

Smiles:

C=CCNC(=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@]3(C)OC(=O)O[C@H]3[C@@H](C)N(C)C[C@@H](C)C[C@](C)(O)[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:

C=CCNC(=O)O.CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C2OC(=O)OC12C

Sugarmoiety:

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

Other Identifiers

• CHEMBL583767

AD00823

Formula: C31H56O10N2

Smiles:

CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C2OC(=O)OC12C

HBA:	12	RingCount:	3
HBD:	3	FractionCSP3:	0.94
AlogP:	2.16	Num_rotatable_bonds:	4
MolWt:	616.79	Num_heavy_atoms:	43
TPSA:	147.46	NumAromaticRings:	0

AD11407

Formula: C4H7O2N

Smiles:

C=CCNC(=O)O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.25
AlogP:	0.44	Num_rotatable_bonds:	2
MolWt:	101.1	Num_heavy_atoms:	7
TPSA:	49.33	NumAromaticRings:	0