GD005584

Name:

None

Formula:

C45H72O18

Smiles:

C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@@H]3CC[C@]4(C)C(=CC[C@@H]5[C@@H]6C[C@@H]7O[C@]8(OC[C@@](C)(O)C[C@H]8O)[C@H](C)[C@H]7[C@@]6(C)CC[C@H]54)C3)O[C@@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12OCC(C)(O)CC2O

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3827245

AD02270

Formula: C27H42O5

Smiles:

CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12OCC(C)(O)CC2O

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	0.93
AlogP:	3.8	Num_rotatable_bonds:	0
MolWt:	446.63	Num_heavy_atoms:	32
TPSA:	79.15	NumAromaticRings:	0