GD100237

Name:

None

Formula:

C21H29O10N

Smiles:

CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N[C@@H]2C[C@H]3C=C[C@@H](C2)O3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.NC1CC2C=CC(C1)O2

Sugarmoiety:

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

• ZINC001172235110

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

AD25089

Formula: C7H11ON

Smiles:

NC1CC2C=CC(C1)O2

HBA:	2	RingCount:	2
HBD:	2	FractionCSP3:	0.71
AlogP:	0.43	Num_rotatable_bonds:	0
MolWt:	125.17	Num_heavy_atoms:	9
TPSA:	35.25	NumAromaticRings:	0