GD010984

Name:

None

Formula:

C87H96O25N10Cl2

Smiles:

CCCN(CCC)[C@H](CC(C)C)C(=O)N[C@@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H]2C(=O)N[C@@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2C[C@@](C)(Nc3ccc(-c4ccccc4)cc3)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O

Aglycone:

CC1OC(O)CC(C)(Nc2ccc(-c3ccccc3)cc2)C1O.CCCN(CCC)C(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2374188

AD00547

Formula: C62H65O18N9Cl2

Smiles:

CCCN(CCC)C(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O

HBA:	27	RingCount:	10
HBD:	16	FractionCSP3:	0.35
AlogP:	3.41	Num_rotatable_bonds:	14
MolWt:	1271.13	Num_heavy_atoms:	89
TPSA:	427.17	NumAromaticRings:	5

AD05266

Formula: C19H23O3N

Smiles:

CC1OC(O)CC(C)(Nc2ccc(-c3ccccc3)cc2)C1O

HBA:	4	RingCount:	3
HBD:	3	FractionCSP3:	0.37
AlogP:	3.01	Num_rotatable_bonds:	3
MolWt:	313.4	Num_heavy_atoms:	23
TPSA:	61.72	NumAromaticRings:	2