GD004512

Name:

None

Formula:

C56H88O19

Smiles:

COC1=C[C@H](C)O[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@H]5CC[C@](O)([C@H](C)O[C@@H]6C[C@@H]7OCO[C@]8(C[C@H](OC)[C@H](O[C@@H]9C[C@H](OC)[C@H](O[C@@H]%10C[C@H](OC)[C@H](O)[C@H](C)O%10)[C@H](C)O9)[C@H](C)O8)O[C@H]7[C@H](C)O6)[C@@]5(C)CC[C@H]43)C2)C1=O

Aglycone:

COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3CC4OCOC5(CC(OC)C(O)C(C)O5)OC4C(C)O3)C2)C1=O

Sugarmoiety:

COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1O

Other Identifiers

• CHEMBL4208715

AD03846

Formula: C42H64O13

Smiles:

COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3CC4OCOC5(CC(OC)C(O)C(C)O5)OC4C(C)O3)C2)C1=O

HBA:	13	RingCount:	8
HBD:	2	FractionCSP3:	0.88
AlogP:	5.05	Num_rotatable_bonds:	7
MolWt:	776.96	Num_heavy_atoms:	55
TPSA:	149.83	NumAromaticRings:	0