GD031386

Name:

None

Formula:

C54H90O25

Smiles:

C[C@H](CC[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@@H]3C(=O)C=C4[C@H](CC[C@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@@]3(C)[C@H](O)C[C@]12C

Aglycone:

CC(CCC(O)C(C)(C)O)C1CCC2(C)C3C(=O)C=C4C(CCC(O)C4(C)C)C3(C)C(O)CC12C

Sugarmoiety:

OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4129463

AD19070

Formula: C30H50O5

Smiles:

CC(CCC(O)C(C)(C)O)C1CCC2(C)C3C(=O)C=C4C(CCC(O)C4(C)C)C3(C)C(O)CC12C

HBA:	5	RingCount:	4
HBD:	4	FractionCSP3:	0.9
AlogP:	4.65	Num_rotatable_bonds:	5
MolWt:	490.73	Num_heavy_atoms:	35
TPSA:	97.99	NumAromaticRings:	0