GD027379

Name:

None

Formula:

C103H160O46

Smiles:

C=CC(C)(O)CCC=C(CO)C(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@]6(C)CC[C@H](O[C@@H]7O[C@H](CO[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@H]6CC[C@@]5(C)[C@@]3(C)CC4)O[C@H](COC(=O)C(=CCC[C@](C)(C=C)O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3OC(=O)C(=CCC[C@@](C)(O)C=C)CO)CO)[C@H](O)[C@H]2O)O[C@H](C)[C@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H]1O

Aglycone:

C=CC(C)(O)CCC=C(CO)C(=O)O.C=CC(C)(O)CCC=C(CO)C(=O)O.C=CC(C)(O)CCC=C(CO)C(=O)OC.CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2O)OC(O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O.OC1COC(O)C(O)C1O.OC1COC(OC2C(OCC3OC(O)C(O)C(O)C3O)OCC(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL2029118

AD00086

Formula: C30H48O3

Smiles:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	7.23	Num_rotatable_bonds:	1
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	57.53	NumAromaticRings:	0

AD00308

Formula: C10H16O4

Smiles:

C=CC(C)(O)CCC=C(CO)C(=O)O

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.5
AlogP:	0.71	Num_rotatable_bonds:	6
MolWt:	200.23	Num_heavy_atoms:	14
TPSA:	77.76	NumAromaticRings:	0

AD16770

Formula: C11H18O4

Smiles:

C=CC(C)(O)CCC=C(CO)C(=O)OC

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.55
AlogP:	0.8	Num_rotatable_bonds:	6
MolWt:	214.26	Num_heavy_atoms:	15
TPSA:	66.76	NumAromaticRings:	0