GD029350

Name:

None

Formula:

C45H64O17

Smiles:

CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)O[C@H](OC[C@@H]2O[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

CCCCCCCCCCCCCCCCCC(=O)O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

Sugarmoiety:

CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4472084

AD00377

Formula: C15H10O7

Smiles:

O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

HBA:	7	RingCount:	3
HBD:	5	FractionCSP3:	0.0
AlogP:	1.99	Num_rotatable_bonds:	1
MolWt:	302.24	Num_heavy_atoms:	22
TPSA:	131.36	NumAromaticRings:	3

AD02455

Formula: C18H36O2

Smiles:

CCCCCCCCCCCCCCCCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.94
AlogP:	6.33	Num_rotatable_bonds:	16
MolWt:	284.48	Num_heavy_atoms:	20
TPSA:	37.3	NumAromaticRings:	0