GD021560

Name:

ABRUSOSIDE B

Formula:

C43H64O16

Smiles:

COC(=O)[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3CC[C@@]45C[C@]46CC[C@]4(C)[C@H]([C@H](C)[C@@H]7CC=C(C)C(=O)O7)CC[C@@]4(C)[C@H]6CC[C@H]5[C@]3(C)C(=O)O)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C(=O)O)C(O)CCC56CC46CCC23C)OC1=O

Sugarmoiety:

COC(=O)C1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL489990
• CNP0105722

AD08702

Formula: C30H44O5

Smiles:

CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C(=O)O)C(O)CCC56CC46CCC23C)OC1=O

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.87
AlogP:	5.75	Num_rotatable_bonds:	3
MolWt:	484.68	Num_heavy_atoms:	35
TPSA:	83.83	NumAromaticRings:	0