GD008176

Name:

None

Formula:

C60H86O27

Smiles:

CO[C@H](C(=O)[C@H](O)[C@H](C)O)[C@@H]1Cc2cc3cc(O[C@@H]4C[C@H](O[C@@H]5C[C@H](O)[C@H](OC)[C@H](C)O5)[C@H](OC(C)=O)[C@H](C)O4)cc(OC(C)=O)c3c(O)c2C(=O)[C@H]1O[C@@H]1C[C@H](O[C@@H]2C[C@H](O[C@@H]3C[C@@](C)(O)[C@H](OC(=O)C(C)C)[C@H](C)O3)[C@H](O)[C@H](C)O2)[C@H](O)[C@H](C)O1

Aglycone:

CC(=O)Oc1cc(O)cc2cc3c(c(O)c12)C(=O)C(O)CC3.CC(C)C(=O)O

Sugarmoiety:

CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.COC(O)C(=O)C(O)C(C)O.COC1C(O)CC(OC2CC(O)OC(C)C2OC(C)=O)OC1C

Other Identifiers

• CHEMBL564947

AD00350

Formula: C4H8O2

Smiles:

CC(C)C(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	0.73	Num_rotatable_bonds:	1
MolWt:	88.11	Num_heavy_atoms:	6
TPSA:	37.3	NumAromaticRings:	0

AD06567

Formula: C16H14O6

Smiles:

CC(=O)Oc1cc(O)cc2cc3c(c(O)c12)C(=O)C(O)CC3

HBA:	6	RingCount:	3
HBD:	3	FractionCSP3:	0.25
AlogP:	1.67	Num_rotatable_bonds:	1
MolWt:	302.28	Num_heavy_atoms:	22
TPSA:	104.06	NumAromaticRings:	2