GD015107

Name:

None

Formula:

C87H105O30N11Cl2

Smiles:

CCc1ccc(CN[C@@]2(C)C[C@H](O[C@@H]3[C@H](Oc4c5cc6cc4Oc4ccc(cc4Cl)[C@@H](O)[C@@H]4NC(=O)[C@@H](NC(=O)[C@@H]6NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)[C@@H](O)c6ccc(c(Cl)c6)O5)c5ccc(O)c(c5)-c5c(cc(O)c(CNCCCNC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c5O)[C@@H](C(=O)O)NC4=O)O[C@H](CO)[C@H](O)[C@H]3O)O[C@H](C)[C@H]2O)cc1

Aglycone:

CCc1ccc(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(=O)NC(C(=O)O)c4cc(O)c(CNCCC[NH])c(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O

Sugarmoiety:

O=CC(O)C(O)C(O)C(O)CO.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4077410

AD01008

Formula: C16H25O3N

Smiles:

CCc1ccc(CNC2(C)CC(O)OC(C)C2O)cc1

HBA:	4	RingCount:	2
HBD:	3	FractionCSP3:	0.62
AlogP:	1.59	Num_rotatable_bonds:	4
MolWt:	279.38	Num_heavy_atoms:	20
TPSA:	61.72	NumAromaticRings:	1

AD05871

Formula: C59H61O17N10Cl2

Smiles:

CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)c(CNCCC[NH])c(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O

HBA:	27	RingCount:	10
HBD:	18	FractionCSP3:	0.33
AlogP:	2.16	Num_rotatable_bonds:	13
MolWt:	1229.07	Num_heavy_atoms:	86
TPSA:	442.69	NumAromaticRings:	5