GD023342

Name:

None

Formula:

C101H104O26N14Cl2

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)Cc3c[nH]c5ccccc35)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(NCc2c[nH]c3ccccc23)[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)Cc2c[nH]c3ccccc23)c2ccc(O)c(c2)Oc2cc(O)c(Cl)c4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21.CN(C)CCCNC=O.NCc1c[nH]c2ccccc12

Sugarmoiety:

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

Other Identifiers

• CHEMBL440070

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

AD05079

Formula: C9H10N2

Smiles:

NCc1c[nH]c2ccccc12

HBA:	2	RingCount:	2
HBD:	3	FractionCSP3:	0.11
AlogP:	1.63	Num_rotatable_bonds:	1
MolWt:	146.19	Num_heavy_atoms:	11
TPSA:	41.81	NumAromaticRings:	2

AD15710

Formula: C75H66O17N10Cl2

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)Cc2c[nH]c3ccccc23)c2ccc(O)c(c2)Oc2cc(O)c(Cl)c4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21

HBA:	27	RingCount:	15
HBD:	15	FractionCSP3:	0.22
AlogP:	7.62	Num_rotatable_bonds:	8
MolWt:	1426.29	Num_heavy_atoms:	102
TPSA:	395.27	NumAromaticRings:	9