GD000871

Name:

None

Formula:

C36H55O18NS

Smiles:

CCCCCCCCNC(=O)CS[C@@H]1O[C@H](COC(C)=O)[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CCCCCCCCNC(=O)CS.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL506574

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

AD00911

Formula: C10H21ONS

Smiles:

CCCCCCCCNC(=O)CS

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.9
AlogP:	2.39	Num_rotatable_bonds:	8
MolWt:	203.35	Num_heavy_atoms:	13
TPSA:	29.1	NumAromaticRings:	0