GD006815

Name:

None

Formula:

C85H108O29N10Cl2

Smiles:

CCCCCCCCCCN[C@@]1(C)C[C@H](O[C@@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@@H](NC(=O)[C@@H]5NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)[C@@H](O)c5ccc(c(Cl)c5)O4)c4ccc(O)c(c4)-c4c(cc(O)c(CN[C@@H]5C(O)O[C@H](CO)[C@H](O)[C@H]5O)c4O)[C@@H](C(=O)O)NC3=O)O[C@H](CO)[C@H](O)[C@H]2O)O[C@H](C)[C@H]1O

Aglycone:

CCCCCCCCCCNC1(C)CC(O)OC(C)C1O.CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)c(CN)c(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4074805

AD00433

Formula: C17H35O3N

Smiles:

CCCCCCCCCCNC1(C)CC(O)OC(C)C1O

HBA:	4	RingCount:	1
HBD:	3	FractionCSP3:	1.0
AlogP:	2.96	Num_rotatable_bonds:	10
MolWt:	301.47	Num_heavy_atoms:	21
TPSA:	61.72	NumAromaticRings:	0

AD00881

Formula: C56H55O17N9Cl2

Smiles:

CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)c(CN)c(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O

HBA:	26	RingCount:	10
HBD:	18	FractionCSP3:	0.3
AlogP:	1.85	Num_rotatable_bonds:	9
MolWt:	1172.99	Num_heavy_atoms:	82
TPSA:	432.88	NumAromaticRings:	5