GD033486

Name:

None

Formula:

C67H100O27

Smiles:

CCCCCCCCCC(=O)O[C@H](C)[C@H](O)C(=O)[C@H](OC)[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)c(C)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(C)=O)[C@H](C)O3)[C@H](O)[C@H](C)O2)[C@H](O)[C@H](C)O1

Aglycone:

CCCCCCCCCC=O.Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2CC(OC3CC(O)OC(C)C3O)OC(C)C2O)CC1(C)O.COC(O)C(=O)C(O)C(C)OO.COC1C(O)CC(OC2CC(O)OC(C)C2OC(C)=O)OC1C

Other Identifiers

• CHEMBL2043359

AD00382

Formula: C15H14O5

Smiles:

Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3

HBA:	5	RingCount:	3
HBD:	4	FractionCSP3:	0.27
AlogP:	1.75	Num_rotatable_bonds:	0
MolWt:	274.27	Num_heavy_atoms:	20
TPSA:	97.99	NumAromaticRings:	2

AD21374

Formula: C10H20O

Smiles:

CCCCCCCCCC=O

HBA:	1	RingCount:	0
HBD:	0	FractionCSP3:	0.9
AlogP:	3.33	Num_rotatable_bonds:	8
MolWt:	156.27	Num_heavy_atoms:	11
TPSA:	17.07	NumAromaticRings:	0