GD000875

Name:

TENACISSIMOSIDE A

Formula:

C42H64O14

Smiles:

CC=C(C)C(=O)O[C@@H]1[C@H]2[C@]3(CC[C@@H]4C[C@@H](O[C@@H]5C[C@H](OC)[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](OC)[C@H]6O)[C@H](C)O5)CC[C@@]24C)O[C@]32CC[C@H](C(C)=O)[C@@]2(C)[C@H]1OC(C)=O

Aglycone:

CC=C(C)C(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OC(C)=O

Sugarmoiety:

COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1O

Other Identifiers

• CHEMBL464723
• CNP0148150

AD00914

Formula: C28H40O7

Smiles:

CC=C(C)C(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OC(C)=O

HBA:	7	RingCount:	5
HBD:	1	FractionCSP3:	0.82
AlogP:	3.9	Num_rotatable_bonds:	4
MolWt:	488.62	Num_heavy_atoms:	35
TPSA:	102.43	NumAromaticRings:	0