GD002240

Name:

None

Formula:

C62H96O26N12

Smiles:

CCCC(CCC)C(=O)OC[C@@H]1NC(=O)[C@H]([C@H](O)[C@@H]2CNC(N)N2[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CNC(N)N2)NC(=O)[C@H](Cc2ccc(O[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cc2)NC(=O)[C@H]([C@H](C)c2ccccc2)NC(=O)CNC1=O

Aglycone:

CCCC(CCC)C(=O)OCC1NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C(C)c2ccccc2)NC(=O)CNC1=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL607206

AD02158

Formula: C44H66O11N12

Smiles:

CCCC(CCC)C(=O)OCC1NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C(C)c2ccccc2)NC(=O)CNC1=O

HBA:	23	RingCount:	5
HBD:	17	FractionCSP3:	0.57
AlogP:	-4.62	Num_rotatable_bonds:	15
MolWt:	939.08	Num_heavy_atoms:	67
TPSA:	361.75	NumAromaticRings:	2