GD100936

Name:

None

Formula:

C21H29O10N3

Smiles:

CCC1(CNc2cn([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(=O)[nH]c2=O)COC1

Aglycone:

CCC1(CNc2c[nH]c(=O)[nH]c2=O)COC1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC001168333669

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

AD42655

Formula: C10H15O3N3

Smiles:

CCC1(CNc2c[nH]c(=O)[nH]c2=O)COC1

HBA:	6	RingCount:	2
HBD:	3	FractionCSP3:	0.6
AlogP:	-0.1	Num_rotatable_bonds:	4
MolWt:	225.25	Num_heavy_atoms:	16
TPSA:	86.98	NumAromaticRings:	1