GD019849

Name:

ISOAPOPTOLIDIN

Formula:

C58H96O21

Smiles:

COC[C@H](CC1O[C@](O)([C@@H]2OC(=O)C(C)=CC(C)=CC(C)=C[C@H](C)[C@H](O[C@@H]3O[C@H](C)[C@H](OC)[C@H](O)[C@H]3O)C=CC(C)=CCC[C@H](O)[C@H](OC)C[C@H]2O)[C@H](C)[C@H](O)[C@H]1C)O[C@@H]1C[C@@](C)(O)[C@H](O[C@@H]2C[C@H](OC)[C@H](O)[C@H](C)O2)[C@H](C)O1

Aglycone:

COCC(O)CC1OC(O)(C2OC(=O)C(C)=CC(C)=CC(C)=CC(C)C(O)C=CC(C)=CCCC(O)C(OC)CC2O)C(C)C(O)C1C

Sugarmoiety:

COC1C(C)OC(O)C(O)C1O.COC1CC(OC2C(C)OC(O)CC2(C)O)OC(C)C1O

Other Identifiers

• CHEMBL1077479
• CNP0279638

AD13795

Formula: C37H60O11

Smiles:

COCC(O)CC1OC(O)(C2OC(=O)C(C)=CC(C)=CC(C)=CC(C)C(O)C=CC(C)=CCCC(O)C(OC)CC2O)C(C)C(O)C1C

HBA:	11	RingCount:	2
HBD:	6	FractionCSP3:	0.7
AlogP:	3.28	Num_rotatable_bonds:	6
MolWt:	680.88	Num_heavy_atoms:	48
TPSA:	175.37	NumAromaticRings:	0