GD013898

Name:

None

Formula:

C59H88O26

Smiles:

COC(C(=O)C(O)C(C)O)C1CC2C=C3C=C(OC4CC(OC5CC(O)C(OC)C(C)O5)C(OC(C)=O)C(C)O4)C(C)C(O)=C3C(O)=C2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(OC(=O)C(C)C)C(C)O3)C(O)C(C)O2)C(O)C(C)O1

Aglycone:

CC(C)C(=O)O.CC1C(O)=CC2=CC3CCC(O)C(=O)C3=C(O)C2=C1O

Sugarmoiety:

CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.COC(O)C(=O)C(O)C(C)O.COC1C(O)CC(OC2CC(O)OC(C)C2OC(C)=O)OC1C

Other Identifiers

• CHEMBL1988721

AD00350

Formula: C4H8O2

Smiles:

CC(C)C(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	0.73	Num_rotatable_bonds:	1
MolWt:	88.11	Num_heavy_atoms:	6
TPSA:	37.3	NumAromaticRings:	0

AD10303

Formula: C15H16O5

Smiles:

CC1C(O)=CC2=CC3CCC(O)C(=O)C3=C(O)C2=C1O

HBA:	5	RingCount:	3
HBD:	4	FractionCSP3:	0.4
AlogP:	1.98	Num_rotatable_bonds:	0
MolWt:	276.29	Num_heavy_atoms:	20
TPSA:	97.99	NumAromaticRings:	0