GD021417

Name:

None

Formula:

C31H62O14N6

Smiles:

CC(C)(C)CCNCCO[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@@H](N)[C@H]2O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CN)[C@H](O)[C@H](O)[C@H]1N

Aglycone:

CC(C)(C)CCNCCO.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:

NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1O

Other Identifiers

• CHEMBL411680

AD00009

Formula: C6H14O3N2

Smiles:

NC1CC(N)C(O)C(O)C1O

HBA:	5	RingCount:	1
HBD:	7	FractionCSP3:	1.0
AlogP:	-2.87	Num_rotatable_bonds:	0
MolWt:	162.19	Num_heavy_atoms:	11
TPSA:	112.73	NumAromaticRings:	0

AD14649

Formula: C8H19ON

Smiles:

CC(C)(C)CCNCCO

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	1.0	Num_rotatable_bonds:	4
MolWt:	145.25	Num_heavy_atoms:	10
TPSA:	32.26	NumAromaticRings:	0