GD020829

Name:

ARBOREASAPONIN B

Formula:

C45H72O18

Smiles:

C[C@@H]1CO[C@@]2(C[C@H]1O)O[C@@H]1C[C@@H]3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@@]1(O)[C@H]2C

Aglycone:

CC1COC2(CC1O)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1169842
• CNP0139923

AD14321

Formula: C27H42O5

Smiles:

CC1COC2(CC1O)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2C

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	0.93
AlogP:	3.8	Num_rotatable_bonds:	0
MolWt:	446.63	Num_heavy_atoms:	32
TPSA:	79.15	NumAromaticRings:	0