GD010613

Name:

None

Formula:

C48H78O19

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)O[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4C=CC4=C6CC(C)(C)CC[C@@]6(CO)[C@H](O)[C@H](O)[C@]45C)[C@@]3(C)CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)C(O)C2O)C1

Sugarmoiety:

CC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4068715

AD08174

Formula: C30H48O5

Smiles:

CC1(C)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)C(O)C2O)C1

HBA:	5	RingCount:	5
HBD:	5	FractionCSP3:	0.87
AlogP:	3.98	Num_rotatable_bonds:	2
MolWt:	488.71	Num_heavy_atoms:	35
TPSA:	101.15	NumAromaticRings:	0