GD002551

Name:

None

Formula:

C32H62O12NS

Smiles:

CCCCCCCCCCCCCCCCO[C@@H]1O[C@H](COCC(CO)(CO)COS(=O)(=O)[O-])[C@H](O)[C@H](O)[C@H]1NC(=O)CCCC

Aglycone:

CCCCC(N)=O.CCCCCCCCCCCCCCCCO.COCC(CO)(CO)COS(=O)(=O)[O-]

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2021410

AD00025

Formula: C5H11ON

Smiles:

CCCCC(N)=O

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.8
AlogP:	0.66	Num_rotatable_bonds:	3
MolWt:	101.15	Num_heavy_atoms:	7
TPSA:	43.09	NumAromaticRings:	0

AD00026

Formula: C6H13O7S

Smiles:

COCC(CO)(CO)COS(=O)(=O)[O-]

HBA:	7	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	-1.92	Num_rotatable_bonds:	7
MolWt:	229.23	Num_heavy_atoms:	14
TPSA:	116.12	NumAromaticRings:	0

AD01052

Formula: C16H34O

Smiles:

CCCCCCCCCCCCCCCCO

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	5.46	Num_rotatable_bonds:	14
MolWt:	242.45	Num_heavy_atoms:	17
TPSA:	20.23	NumAromaticRings:	0