GD004891

Name:

None

Formula:

C62H102O23

Smiles:

CO[C@@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@H](C)O[C@@]4(C[C@H]3OC)OCO[C@@H]3C[C@H](O[C@H](C)[C@]5(O)CC[C@@H]6[C@@H]7CC=C8C[C@H](O)CC[C@@]8(C)[C@H]7CC[C@]65C)O[C@H](C)[C@H]3O4)C[C@H]2O)O[C@@H](C)[C@@H]1O[C@H]1C[C@@H](OC)[C@@H](O[C@H]2O[C@@H](C)[C@@H](O)[C@@H](OC)[C@@H]2O)[C@H](C)O1

Aglycone:

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

Sugarmoiety:

COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Other Identifiers

• CHEMBL4204211

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