GD031416

Name:

None

Formula:

C41H64O15

Smiles:

CCCC(=O)O[C@H]1[C@H](OC(=O)CCC)[C@H](C)O[C@H](O[C@@H]2C[C@@H]3C[C@H](O)[C@]4(O)C(=O)O[C@H](C[C@H](O)[C@@H]5C[C@H](C)[C@H](CC=CC=C[C@H](C)C[C@H](C2)O3)O5)[C@H]4O)[C@@H]1OC

Aglycone:

CC1C=CC=CCC2OC(CC2C)C(O)CC2OC(=O)C(O)(C(O)CC3CC(O)CC(C1)O3)C2O.CCCC(=O)O.CCCC(=O)O

Sugarmoiety:

COC1C(O)OC(C)C(O)C1O

Other Identifiers

• CHEMBL4093963
• CNP0433213

AD00922

Formula: C4H8O2

Smiles:

CCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	0.87	Num_rotatable_bonds:	2
MolWt:	88.11	Num_heavy_atoms:	6
TPSA:	37.3	NumAromaticRings:	0

AD20242

Formula: C26H40O9

Smiles:

CC1C=CC=CCC2OC(CC2C)C(O)CC2OC(=O)C(O)(C(O)CC3CC(O)CC(C1)O3)C2O

HBA:	9	RingCount:	4
HBD:	5	FractionCSP3:	0.81
AlogP:	0.75	Num_rotatable_bonds:	0
MolWt:	496.6	Num_heavy_atoms:	35
TPSA:	145.91	NumAromaticRings:	0