GD024384

Name:

polycavemoside A

Formula:

C43H68O15

Smiles:

CO[C@@H]1[C@H](O[C@H]2[C@H](OC)[C@@H](O[C@@H]3C[C@@H]4CC(=O)[C@]5(O)O[C@H](C[C@H]5C)C(C)(C)[C@H](C=CC=CC=CC(C)C)OC(=O)C[C@H](O4)[C@H]3C)OC[C@H]2OC)O[C@H](C)[C@H](O)[C@H]1OC

Aglycone:

CC(C)C=CC=CC=CC1OC(=O)CC2OC(CC(=O)C3(O)OC(CC3C)C1(C)C)CC(O)C2C

Sugarmoiety:

COC1COC(O)C(OC)C1OC1OC(C)C(O)C(OC)C1OC

Other Identifiers

• CHEMBL2367466
• CNP0115870

AD16283

Formula: C28H42O7

Smiles:

CC(C)C=CC=CC=CC1OC(=O)CC2OC(CC(=O)C3(O)OC(CC3C)C1(C)C)CC(O)C2C

HBA:	7	RingCount:	3
HBD:	2	FractionCSP3:	0.71
AlogP:	3.88	Num_rotatable_bonds:	4
MolWt:	490.64	Num_heavy_atoms:	35
TPSA:	102.29	NumAromaticRings:	0