GD033077

Name:

ABRUSOSIDE D

Formula:

C42H62O16

Smiles:

CC1=CC[C@H]([C@H](C)[C@@H]2CC[C@]3(C)[C@@H]4CC[C@H]5[C@]6(CC[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]7O)[C@]5(C)C(=O)O)C[C@@]46CC[C@]23C)OC1=O

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CHEMBL500346
• CNP0233240

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