GD021641

Name:

None

Formula:

C48H85O19N3

Smiles:

CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NCCO[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)CN(C)[C@H](C)[C@@H]2OC(=O)O[C@]12C

Aglycone:

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.O=C(O)NCCO

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.COC1(C)CC(O)OC(C)C1O

Other Identifiers

• CHEMBL2418608

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

AD03467

Formula: C3H7O3N

Smiles:

O=C(O)NCCO

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.67
AlogP:	-0.75	Num_rotatable_bonds:	2
MolWt:	105.09	Num_heavy_atoms:	7
TPSA:	69.56	NumAromaticRings:	0