GD036439

Name:

None

Formula:

C66H106O25

Smiles:

CO[C@@H]1C[C@H](O[C@@H]2[C@H](C)O[C@@]3(C[C@H]2OC)OCO[C@@H]2C[C@H](O[C@H](C)[C@]4(O)CC[C@@H]5[C@@H]6CC=C7C[C@H](OC=O)CC[C@@]7(C)[C@H]6CC[C@]54C)O[C@H](C)[C@H]2O3)O[C@@H](C)[C@@H]1O[C@H]1C[C@@H](OC)[C@@H](O[C@H]2C[C@@H](OC)[C@@H](O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](OC)[C@@H]3OC(C)=O)[C@H](C)O2)[C@H](C)O1

Aglycone:

COC1CC2(OCOC3CC(OC(C)C4(O)CCC5C6CC=C7CC(OC=O)CCC7(C)C6CCC54C)OC(C)C3O2)OC(C)C1O

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3OC(C)=O)C(C)O2)C(C)O1

Other Identifiers

• CHEMBL4206365

AD03780

Formula: C36H56O11

Smiles:

COC1CC2(OCOC3CC(OC(C)C4(O)CCC5C6CC=C7CC(OC=O)CCC7(C)C6CCC54C)OC(C)C3O2)OC(C)C1O

HBA:	11	RingCount:	7
HBD:	2	FractionCSP3:	0.92
AlogP:	4.36	Num_rotatable_bonds:	6
MolWt:	664.83	Num_heavy_atoms:	47
TPSA:	131.37	NumAromaticRings:	0