GD023301

Name:

None

Formula:

C102H113O32N11Cl2

Smiles:

CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1c2ccc(c(Cl)c2)Oc2cc3cc(c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(=O)CCCCCCC(C)C)Oc2ccc(cc2Cl)C[C@@H]2NC(=O)[C@H](N)c4ccc(O)c(c4)Oc4cc(O)cc(c4)[C@H](NC2=O)C(=O)N[C@H]3C(=O)N[C@@H]2C(=O)N[C@H]1C(=O)N[C@H](C(=O)NC1CCN(Cc3ccccc3)CC1)c1cc(O)cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c1-c1cc2ccc1O

Aglycone:

CC(C)CCCCCCC(N)=O.NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)NC1CCN(Cc2ccccc2)CC1)NC3=O

Sugarmoiety:

CC(=O)NC1C(O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2367622

AD00631

Formula: C10H21ON

Smiles:

CC(C)CCCCCCC(N)=O

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.9
AlogP:	2.47	Num_rotatable_bonds:	7
MolWt:	171.28	Num_heavy_atoms:	12
TPSA:	43.09	NumAromaticRings:	0

AD15690

Formula: C72H61O17N9Cl2

Smiles:

NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)NC1CCN(Cc2ccccc2)CC1)NC3=O

HBA:	26	RingCount:	15
HBD:	16	FractionCSP3:	0.21
AlogP:	6.68	Num_rotatable_bonds:	4
MolWt:	1371.21	Num_heavy_atoms:	98
TPSA:	402.26	NumAromaticRings:	8