GD010921

Name:

None

Formula:

C109H110O26N12Cl2

Smiles:

CN(C)CCCNC(=O)C1O[C@H](Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@H](O)C2NC(=O)[C@H](NC(=O)[C@H]4NC(=O)[C@@H]4NC(=O)[C@H](Cc5ccc(cc5)O3)NC(=O)[C@H](N(C)Cc3ccc(-c5ccccc5)cc3)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)NCCCN(C)C)NC2=O)C(NCc2ccc(-c3ccccc3)cc2)[C@H](O)C1O

Aglycone:

CN(C)CCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(cc5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N(C)Cc2ccc(-c3ccccc3)cc2)c2ccc(O)c(c2)Oc2cc(O)c(Cl)c4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21.CN(C)CCCNC=O.NCc1ccc(-c2ccccc2)cc1

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL414481

AD05077

Formula: C6H14ON2

Smiles:

CN(C)CCCNC=O

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	0.83
AlogP:	-0.32	Num_rotatable_bonds:	5
MolWt:	130.19	Num_heavy_atoms:	9
TPSA:	32.34	NumAromaticRings:	0

AD08379

Formula: C79H69O17N9Cl2

Smiles:

CN(C)CCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(cc5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N(C)Cc2ccc(-c3ccccc3)cc2)c2ccc(O)c(c2)Oc2cc(O)c(Cl)c4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21

HBA:	26	RingCount:	15
HBD:	14	FractionCSP3:	0.21
AlogP:	8.81	Num_rotatable_bonds:	9
MolWt:	1463.35	Num_heavy_atoms:	105
TPSA:	379.48	NumAromaticRings:	9

AD08380

Formula: C13H13N

Smiles:

NCc1ccc(-c2ccccc2)cc1

HBA:	1	RingCount:	2
HBD:	2	FractionCSP3:	0.08
AlogP:	2.81	Num_rotatable_bonds:	2
MolWt:	183.25	Num_heavy_atoms:	14
TPSA:	26.02	NumAromaticRings:	2