GD002897

Name:

None

Formula:

C27H46O15

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](CO)OCC[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H](CC3CCCCC3)C(=O)O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

O=C(O)C(O)CC1CCCCC1.OCC1OCCC(O)C1O

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3306880

AD00935

Formula: C9H16O3

Smiles:

O=C(O)C(O)CC1CCCCC1

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.89
AlogP:	1.4	Num_rotatable_bonds:	3
MolWt:	172.22	Num_heavy_atoms:	12
TPSA:	57.53	NumAromaticRings:	0

AD02704

Formula: C6H12O4

Smiles:

OCC1OCCC(O)C1O

HBA:	4	RingCount:	1
HBD:	3	FractionCSP3:	1.0
AlogP:	-1.51	Num_rotatable_bonds:	1
MolWt:	148.16	Num_heavy_atoms:	10
TPSA:	69.92	NumAromaticRings:	0