GD025859

Name:

DODONAEASIDE B

Formula:

C57H88O23

Smiles:

CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)[C@@]2(C)O[C@H]2C)C(C)(C)C[C@@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]3(C)C[C@H](O)[C@@]12CO

Aglycone:

CC=C(C)C(=O)OC1C(OC(=O)C2(C)OC2C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21CO

Sugarmoiety:

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

Other Identifiers

• CHEMBL1079016
• CNP0299077

AD17102

Formula: C40H62O8

Smiles:

CC=C(C)C(=O)OC1C(OC(=O)C2(C)OC2C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21CO

HBA:	8	RingCount:	6
HBD:	3	FractionCSP3:	0.85
AlogP:	6.3	Num_rotatable_bonds:	5
MolWt:	670.93	Num_heavy_atoms:	48
TPSA:	125.82	NumAromaticRings:	0