GD029256

Name:

None

Formula:

C83H86O28N8Cl2

Smiles:

CCCCCCCCCC(=O)N[C@@H]1[C@H](Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@H](O)[C@@H]2NC(=O)[C@H](NC(=O)[C@H]4NC(=O)[C@@H]4NC(=O)[C@H](Cc5ccc(cc5)O3)NC(=O)[C@H](NC)c3ccc(O)c(c3)Oc3cc(O)c(Cl)c4c3)c3ccc(O)c(c3)-c3c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc(O)cc3[C@H](C(=O)O)NC2=O)O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:

CCCCCCCCCC(N)=O.CNC1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL1255892

AD01031

Formula: C61H47O18N7Cl2

Smiles:

CNC1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O

HBA:	25	RingCount:	13
HBD:	15	FractionCSP3:	0.17
AlogP:	5.25	Num_rotatable_bonds:	2
MolWt:	1212.96	Num_heavy_atoms:	86
TPSA:	393.23	NumAromaticRings:	7

AD02659

Formula: C10H21ON

Smiles:

CCCCCCCCCC(N)=O

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.9
AlogP:	2.61	Num_rotatable_bonds:	8
MolWt:	171.28	Num_heavy_atoms:	12
TPSA:	43.09	NumAromaticRings:	0