GD035538

Name:

None

Formula:

C57H88O23

Smiles:

CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)CC(C)C)[C@@]2(CO)[C@H](O)[C@@H](O)[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8O[C@H](C)[C@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H]6O)[C@@](C)(C=O)[C@H]5CC[C@]43C)[C@H]2CC1(C)C

Aglycone:

CC=C(C)C(=O)OC1C(OC(=O)CC(C)C)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C=O)C4CCC3(C)C1(C)C(O)C2O

Sugarmoiety:

CC1OC(OC2C(O)COC(OC3C(O)C(O)OC(C(=O)O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4291899

AD22479

Formula: C40H62O9

Smiles:

CC=C(C)C(=O)OC1C(OC(=O)CC(C)C)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C=O)C4CCC3(C)C1(C)C(O)C2O

HBA:	9	RingCount:	5
HBD:	4	FractionCSP3:	0.82
AlogP:	5.32	Num_rotatable_bonds:	7
MolWt:	686.93	Num_heavy_atoms:	49
TPSA:	150.59	NumAromaticRings:	0