GD000225

Name:

None

Formula:

C41H72O20N4

Smiles:

CCCCCCCCCCCCCC=C[C@H](O)[C@H](COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C2O)C(O)C1O)N=[N+]=[N-]

Aglycone:

CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.CCCCCCCCCCCCCC=CC(O)C(CO)N=[N+]=[N-]

Sugarmoiety:

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1971787

AD00077

Formula: C11H19O9N

Smiles:

CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO

HBA:	10	RingCount:	1
HBD:	7	FractionCSP3:	0.82
AlogP:	-3.87	Num_rotatable_bonds:	5
MolWt:	309.27	Num_heavy_atoms:	21
TPSA:	176.78	NumAromaticRings:	0

AD00261

Formula: C18H35O2N3

Smiles:

CCCCCCCCCCCCCC=CC(O)C(CO)N=[N+]=[N-]

HBA:	5	RingCount:	0
HBD:	2	FractionCSP3:	0.89
AlogP:	5.28	Num_rotatable_bonds:	16
MolWt:	325.5	Num_heavy_atoms:	23
TPSA:	89.22	NumAromaticRings:	0