GD021363

Name:

None

Formula:

C89H108O26N10Cl2

Smiles:

CCCCCOc1ccc(CN[C@@]2(C)C[C@H](O[C@@H]3[C@H](Oc4c5cc6cc4Oc4ccc(cc4Cl)[C@@H](O)[C@@H](NC(=O)[C@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]6C(=O)N[C@H]4C(=O)N[C@](C)(C(=O)N[C@@H](C(=O)O)c6cc(O)cc(O)c6-c6cc4ccc6O)[C@@H](C[C@@H]4C[C@@](C)(N)[C@H](O)[C@H](C)O4)c4ccc(c(Cl)c4)O5)O[C@H](CO)[C@H](O)[C@H]3O)O[C@H](C)[C@H]2O)cc1

Aglycone:

CCCCCOc1ccc(CNC2(C)CC(O)OC(C)C2O)cc1.CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C)(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(CC3CC(C)(N)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O

Sugarmoiety:

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

Other Identifiers

• CHEMBL2374172

AD08792

Formula: C64H69O18N9Cl2

Smiles:

CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C)(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(CC3CC(C)(N)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O

HBA:	27	RingCount:	11
HBD:	18	FractionCSP3:	0.39
AlogP:	3.48	Num_rotatable_bonds:	10
MolWt:	1299.18	Num_heavy_atoms:	91
TPSA:	442.11	NumAromaticRings:	5

AD10999

Formula: C19H31O4N

Smiles:

CCCCCOc1ccc(CNC2(C)CC(O)OC(C)C2O)cc1

HBA:	5	RingCount:	2
HBD:	3	FractionCSP3:	0.68
AlogP:	2.59	Num_rotatable_bonds:	8
MolWt:	337.46	Num_heavy_atoms:	24
TPSA:	70.95	NumAromaticRings:	1