GD030830

Name:

3'O-ACETYLPLATYCODIN D

Formula:

C59H94O29

Smiles:

CC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)C(CO)(CO)[C@H]6CC[C@@]5(C)[C@@]3(C)C[C@H]4O)OC[C@H](O)[C@H]2O)O[C@H](C)[C@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]2O)[C@H]1O

Aglycone:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5CCC43C)C2C1

Sugarmoiety:

CC(=O)OC1C(OC2C(O)OCC(O)C2O)OC(C)C(OC2OCC(O)C(OC3OCC(O)(CO)C3O)C2O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1641861
• CNP0273231

AD12196

Formula: C30H48O7

Smiles:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5CCC43C)C2C1

HBA:	7	RingCount:	5
HBD:	6	FractionCSP3:	0.9
AlogP:	3.12	Num_rotatable_bonds:	3
MolWt:	520.71	Num_heavy_atoms:	37
TPSA:	138.45	NumAromaticRings:	0