GD028284

Name:

None

Formula:

C97H111O32N11Cl2

Smiles:

CCN1CCCC1CNC(=O)[C@@H]1NC(=O)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@@H]4NC(=O)[C@H](Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCC(C)C)Oc3ccc(cc3Cl)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)NC(=O)[C@H](N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)cc21

Aglycone:

CC(C)CCCCCCC(N)=O.CCN1CCCC1CNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21

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

• CHEMBL2367669

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

AD18502

Formula: C67H59O17N9Cl2

Smiles:

CCN1CCCC1CNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21

HBA:	26	RingCount:	14
HBD:	16	FractionCSP3:	0.25
AlogP:	5.5	Num_rotatable_bonds:	4
MolWt:	1309.14	Num_heavy_atoms:	93
TPSA:	402.26	NumAromaticRings:	7