GD008600

Name:

None

Formula:

C54H90O22

Smiles:

C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC(=O)[C@@H]4[C@H]([C@@](C)(O)CC(=O)CC(C)(C)O)CC[C@]45C)C3(C)C)O[C@@H](CO[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC(C)(O)CC(=O)CC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C

Sugarmoiety:

CC1OC(OCC2OC(O)C(OC3OC(C)C(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4282188

AD06844

Formula: C30H50O5

Smiles:

CC(C)(O)CC(=O)CC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C

HBA:	5	RingCount:	4
HBD:	3	FractionCSP3:	0.93
AlogP:	5.08	Num_rotatable_bonds:	5
MolWt:	490.73	Num_heavy_atoms:	35
TPSA:	94.83	NumAromaticRings:	0