GD033367

Name:

None

Formula:

C29H36O14N4S

Smiles:

CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(CSC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)=C(N)C3=O)N1C[C@@H]1N[C@H]12

Aglycone:

COC(C)=O.COC12C(COC(N)=O)C3=C(C(=O)C(CS)=C(N)C3=O)N1CC1NC12

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL300181

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

AD16221

Formula: C15H18O5N4S

Smiles:

COC12C(COC(N)=O)C3=C(C(=O)C(CS)=C(N)C3=O)N1CC1NC12

HBA:	9	RingCount:	4
HBD:	5	FractionCSP3:	0.53
AlogP:	-1.74	Num_rotatable_bonds:	4
MolWt:	366.4	Num_heavy_atoms:	25
TPSA:	146.89	NumAromaticRings:	0