GD030025

Name:

None

Formula:

C59H92O23

Smiles:

CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)CC)[C@@]2(CO)[C@H](OC(C)=O)C[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)(CO)[C@H]5CC[C@]43C)[C@H]2CC1(C)C

Aglycone:

CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C

Sugarmoiety:

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

Other Identifiers

• CHEMBL4287497

AD19462

Formula: C42H66O9

Smiles:

CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C

HBA:	9	RingCount:	5
HBD:	3	FractionCSP3:	0.83
AlogP:	6.71	Num_rotatable_bonds:	8
MolWt:	714.98	Num_heavy_atoms:	51
TPSA:	139.59	NumAromaticRings:	0