GD004730

Name:

None

Formula:

C37H54O13

Smiles:

CC(=O)OC[C@@H]1O[C@H](OCCO[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]2C(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(=O)C1C(OCCO)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL232486

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD04089

Formula: C23H36O4

Smiles:

CC(=O)C1C(OCCO)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C

HBA:	4	RingCount:	4
HBD:	2	FractionCSP3:	0.87
AlogP:	3.5	Num_rotatable_bonds:	4
MolWt:	376.54	Num_heavy_atoms:	27
TPSA:	66.76	NumAromaticRings:	0