GD008388

Name:

Camelliasaponin C2

Formula:

C58H92O26

Smiles:

CC=C(C)C(=O)OC1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@](C)(CC[C@@H]5[C@](C)(CO)C(O[C@@H]6O[C@H](C(=O)O)[C@H](O)C(O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC(CO)C(O)[C@H](O)[C@H]7O)C6O[C@@H]6OC(CO)C(O)C(O)C6O)CC[C@]45C)[C@@]3(C)CC(O)[C@]12CO

Aglycone:

CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C12CO

Sugarmoiety:

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

• CHEMBL1991460
• CHEMBL1995831
• CNP0339684

AD06699

Formula: C35H56O6

Smiles:

CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C12CO

HBA:	6	RingCount:	5
HBD:	4	FractionCSP3:	0.86
AlogP:	5.57	Num_rotatable_bonds:	4
MolWt:	572.83	Num_heavy_atoms:	41
TPSA:	107.22	NumAromaticRings:	0