GD029088

Name:

None

Formula:

C62H102O22

Smiles:

CO[C@H]1C[C@@H](O[C@@H]2[C@H](C)O[C@H](O[C@H]3[C@@H](O)C[C@@H](O[C@@H]4[C@@H](C)O[C@@H](O[C@@H]5[C@H](C)O[C@@]6(C[C@H]5OC)OCO[C@@H]5C[C@H](O[C@H](C)[C@]7(O)CC[C@@H]8[C@@H]9CC=C%10C[C@H](O)CC[C@@]%10(C)[C@H]9CC[C@]87C)O[C@H](C)[C@H]5O6)C[C@H]4OC)O[C@H]3C)C[C@@H]2OC)O[C@@H](C)[C@H]1O

Aglycone:

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

Sugarmoiety:

COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(C)OC(O)CC4OC)OC3C)CC2OC)OC(C)C1O

Other Identifiers

• CHEMBL4289571

AD04218

Formula: C35H56O10

Smiles:

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

HBA:	10	RingCount:	7
HBD:	3	FractionCSP3:	0.94
AlogP:	4.18	Num_rotatable_bonds:	4
MolWt:	636.82	Num_heavy_atoms:	45
TPSA:	125.3	NumAromaticRings:	0