GD004733

Name:

None

Formula:

C61H100O21

Smiles:

COC[C@H](CC1O[C@](O)([C@H](OC(C)=O)C2CC(=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)C2)[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)(C(OC(C)=O)C2CC(=O)C(C)=CC(C)=CC(C)=CC(C)C(O)C=CC(C)=CCCC(O)C(OC)C2)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

• CHEMBL1077490

AD04091

Formula: C40H64O11

Smiles:

COCC(O)CC1OC(O)(C(OC(C)=O)C2CC(=O)C(C)=CC(C)=CC(C)=CC(C)C(O)C=CC(C)=CCCC(O)C(OC)C2)C(C)C(O)C1C

HBA:	11	RingCount:	2
HBD:	5	FractionCSP3:	0.7
AlogP:	4.51	Num_rotatable_bonds:	8
MolWt:	720.94	Num_heavy_atoms:	51
TPSA:	172.21	NumAromaticRings:	0