GD012514

Name:

None

Formula:

C57H90O22

Smiles:

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

• CHEMBL4279246

AD09426

Formula: C40H64O8

Smiles:

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

HBA:	8	RingCount:	5
HBD:	4	FractionCSP3:	0.85
AlogP:	6.14	Num_rotatable_bonds:	7
MolWt:	672.94	Num_heavy_atoms:	48
TPSA:	133.52	NumAromaticRings:	0