GD028464

Name:

None

Formula:

C55H80O17

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3[C@H](O[C@@H]4CC[C@]5(C)[C@H](CC[C@]6(C)[C@H]5CC=C5[C@@H]7CC(C)(C)[C@H](OC(=O)C=Cc8ccccc8)C[C@@]7(C(=O)O)CC[C@]56C)C4(C)C)OC[C@H](O)[C@H]3O)OC[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OC(=O)C=Cc1ccccc1

Sugarmoiety:

CC1OC(OC2C(OC3C(O)OCC(O)C3O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4289028

AD02167

Formula: C39H54O5

Smiles:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OC(=O)C=Cc1ccccc1

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.69
AlogP:	8.47	Num_rotatable_bonds:	4
MolWt:	602.86	Num_heavy_atoms:	44
TPSA:	83.83	NumAromaticRings:	1