GD031474

Name:

None

Formula:

C60H96O27

Smiles:

CC(=O)OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@H](CC[C@@H]6C(C)(C)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)CC[C@@]65C)[C@@]3(C)CC4)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C3CCC3C(C)(C)C(O)CCC43C)C2C1.COC(C)=O

Sugarmoiety:

CC1OC(OC2C(O)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL450481

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD09263

Formula: C29H46O3

Smiles:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C3CCC3C(C)(C)C(O)CCC43C)C2C1

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	6.84	Num_rotatable_bonds:	1
MolWt:	442.68	Num_heavy_atoms:	32
TPSA:	57.53	NumAromaticRings:	0