GD110337

Name:

None

Formula:

C30H31O14NS

Smiles:

CCOC(=O)c1oc2cc(OC[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1

Aglycone:

CCOC(=O)c1oc2cc(OC)ccc2c(=O)c1-c1cscn1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000195528874

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

AD44590

Formula: C16H13O5NS

Smiles:

CCOC(=O)c1oc2cc(OC)ccc2c(=O)c1-c1cscn1

HBA:	6	RingCount:	3
HBD:	0	FractionCSP3:	0.19
AlogP:	3.1	Num_rotatable_bonds:	4
MolWt:	331.35	Num_heavy_atoms:	23
TPSA:	78.63	NumAromaticRings:	3