GD013132

Name:

GITOFORMATE

Formula:

C46H64O19

Smiles:

C[C@@H]1O[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@H](C7=CC(=O)OC7)[C@H](OC=O)C[C@@]65O)C4)C[C@H]3OC=O)C[C@H]2OC=O)C[C@H](OC=O)[C@H]1OC=O

Aglycone:

CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(OC=O)CC12O

Sugarmoiety:

CC1OC(OC2C(C)OC(OC3C(C)OC(O)CC3OC=O)CC2OC=O)CC(OC=O)C1OC=O

Other Identifiers

• CHEMBL2103959
• CNP0279873

AD04703

Formula: C24H34O6

Smiles:

CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(OC=O)CC12O

HBA:	6	RingCount:	5
HBD:	2	FractionCSP3:	0.83
AlogP:	2.76	Num_rotatable_bonds:	3
MolWt:	418.53	Num_heavy_atoms:	30
TPSA:	93.06	NumAromaticRings:	0