GD020301

Name:

None

Formula:

C82H80O27N8Cl2

Smiles:

CCCCCC=CCCC(=O)N[C@@H]1[C@H](Oc2c3cc4cc2Oc2ccc(cc2Cl)CC2NC(=O)[C@H](N)c5ccc(O)c(c5)Oc5cc(O)cc(c5)C(NC2=O)C(=O)NC4C(=O)NC2C(=O)N=C(Cc4ccc(c(Cl)c4)O3)C(=O)N[C@H](C(=O)O)c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c3-c3cc2ccc3O)O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:

CCCCCC=CCCC(N)=O.NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)CC3=NC(=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)O)NC3=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL2029093

AD03852

Formula: C10H19ON

Smiles:

CCCCCC=CCCC(N)=O

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.7
AlogP:	2.39	Num_rotatable_bonds:	7
MolWt:	169.27	Num_heavy_atoms:	12
TPSA:	43.09	NumAromaticRings:	0

AD14037

Formula: C60H43O17N7Cl2

Smiles:

NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)CC3=NC(=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)O)NC3=O

HBA:	24	RingCount:	13
HBD:	14	FractionCSP3:	0.14
AlogP:	5.98	Num_rotatable_bonds:	1
MolWt:	1180.92	Num_heavy_atoms:	84
TPSA:	387.32	NumAromaticRings:	7