GD025527

Name:

None

Formula:

C96H108O27N12Cl2

Smiles:

CCCCCCOc1ccc(CNC2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@H](O)C3NC(=O)[C@H](NC(=O)[C@H]5NC(=O)[C@@H]5NC(=O)[C@H](Cc6ccc(cc6)O4)NC(=O)[C@H](NC)c4ccc(O)c(c4)Oc4cc(O)c(Cl)c5c4)c4ccc(O)c(c4)-c4c(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)cc(O)cc4[C@H](C(=O)NCCCN(C)C)NC3=O)OC(C(=O)NCCCN(C)C)C(O)[C@H]2O)cc1

Aglycone:

CCCCCCOc1ccc(CN)cc1.CN(C)CCCNC=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)NCCCN(C)C)NC3=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL262032

AD03613

Formula: C66H59O17N9Cl2

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)NCCCN(C)C)NC3=O

HBA:	26	RingCount:	13
HBD:	15	FractionCSP3:	0.23
AlogP:	5.23	Num_rotatable_bonds:	6
MolWt:	1297.13	Num_heavy_atoms:	92
TPSA:	388.27	NumAromaticRings:	7

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

AD16916

Formula: C13H21ON

Smiles:

CCCCCCOc1ccc(CN)cc1

HBA:	2	RingCount:	1
HBD:	2	FractionCSP3:	0.54
AlogP:	3.1	Num_rotatable_bonds:	7
MolWt:	207.32	Num_heavy_atoms:	15
TPSA:	35.25	NumAromaticRings:	1