GD006561

Name:

None

Formula:

C55H86O22

Smiles:

COC(=O)[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3CC=C3[C@@H]5CC(C)(C)C[C@H](OC(C)=O)[C@@]5(COC(C)=O)[C@H](OC(C)=O)C[C@]34C)C2(C)C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O

Aglycone:

CC(=O)OCC12C(OC(C)=O)CC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2OC(C)=O

Sugarmoiety:

COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C1O

Other Identifiers

• CHEMBL4061337

AD05420

Formula: C36H56O7

Smiles:

CC(=O)OCC12C(OC(C)=O)CC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2OC(C)=O

HBA:	7	RingCount:	5
HBD:	1	FractionCSP3:	0.86
AlogP:	6.8	Num_rotatable_bonds:	4
MolWt:	600.84	Num_heavy_atoms:	43
TPSA:	99.13	NumAromaticRings:	0