GD002041

Name:

None

Formula:

C78H139O30N21

Smiles:

CCCN(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCCn1cc(CCCC(=O)NC[C@@H]2O[C@H](O[C@H]3[C@H](N)C[C@@H](N)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](N)[C@H]4O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)nn1)CC(N)=O)C(=O)CNCCCn1cc(CCCC(=O)NC[C@@H]2O[C@H](O[C@H]3[C@H](N)C[C@@H](N)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](N)[C@H]4O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)nn1

Aglycone:

CCCN(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCCn1cc(CCCC(=O)NC)nn1)CC(N)=O)C(=O)CNCCCn1cc(CCCC(=O)NC)nn1.NC1CC(N)C(O)C(O)C1O.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:

NC1C(O)C(O)OC(CO)C1O.NC1C(O)C(O)OC(CO)C1O.OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4299651

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

AD01985

Formula: C44H77O8N15

Smiles:

CCCN(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCCn1cc(CCCC(=O)NC)nn1)CC(N)=O)C(=O)CNCCCn1cc(CCCC(=O)NC)nn1

HBA:	23	RingCount:	2
HBD:	5	FractionCSP3:	0.73
AlogP:	-0.65	Num_rotatable_bonds:	36
MolWt:	944.2	Num_heavy_atoms:	67
TPSA:	276.29	NumAromaticRings:	2