GD032337

Name:

None

Formula:

C47H85O16N7

Smiles:

C[C@H](CCC(=O)NC[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@@H](N)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CN)[C@H](O)[C@H](O)[C@H]1N)[C@@H]1CC[C@@H]2[C@H]3[C@H](C[C@H](O)[C@]12C)[C@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O

Aglycone:

CNC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:

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

Other Identifiers

• CHEMBL3138432

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

AD20748

Formula: C25H43O4N

Smiles:

CNC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C

HBA:	5	RingCount:	4
HBD:	4	FractionCSP3:	0.96
AlogP:	3.11	Num_rotatable_bonds:	4
MolWt:	421.62	Num_heavy_atoms:	30
TPSA:	89.79	NumAromaticRings:	0