GD007076

Name:

None

Formula:

C44H72O18

Smiles:

CC1=C(C(O)C[C@H](C)CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@@H]5C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]12

Aglycone:

CC1=C(C(O)CC(C)CO)OC2CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C12

Sugarmoiety:

CC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3329793

AD05786

Formula: C27H44O5

Smiles:

CC1=C(C(O)CC(C)CO)OC2CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C12

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	0.93
AlogP:	3.64	Num_rotatable_bonds:	4
MolWt:	448.64	Num_heavy_atoms:	32
TPSA:	90.15	NumAromaticRings:	0