GD009401

Name:

None

Formula:

C78H110O44N4S

Smiles:

CC(=O)OC[C@@H]1O[C@H](NC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](O[C@@H]5O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)[C@H]4OC(C)=O)[C@H]3OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O.NC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21

Sugarmoiety:

CC(=O)OCC1OC(OC2C(OC(C)=O)C(COC(C)=O)OC(OC3OC(O)OC(OC4OC(O)OC(OC5C(O)OC(O)C(OC(C)=O)C5OC(C)=O)C4OC(C)=O)C3OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL438743

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD07372

Formula: C16H28O3N4S

Smiles:

NC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21

HBA:	7	RingCount:	2
HBD:	5	FractionCSP3:	0.81
AlogP:	0.87	Num_rotatable_bonds:	11
MolWt:	356.49	Num_heavy_atoms:	24
TPSA:	113.32	NumAromaticRings:	0