GD005192

Name:

None

Formula:

C43H66O11

Smiles:

C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O[C@@H]6O[C@H](COC(=O)C(C)(C)C)[C@H](O)[C@H](OC(=O)C(C)(C)C)[C@H]6O)CC[C@@]5(C)C4=CC(=O)[C@@]3(C)[C@@H]1[C@H]2C

Aglycone:

CC(C)(C)C(=O)O.CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4=CC(=O)C3(C)C1C2C.COC(=O)C(C)(C)C

Sugarmoiety:

OCC1OC(O)C(O)OC1O

Other Identifiers

• CHEMBL2049179

AD03091

Formula: C5H10O2

Smiles:

CC(C)(C)C(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.8
AlogP:	1.12	Num_rotatable_bonds:	0
MolWt:	102.13	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD03093

Formula: C6H12O2

Smiles:

COC(=O)C(C)(C)C

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.83
AlogP:	1.21	Num_rotatable_bonds:	0
MolWt:	116.16	Num_heavy_atoms:	8
TPSA:	26.3	NumAromaticRings:	0

AD04437

Formula: C27H40O4

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4=CC(=O)C3(C)C1C2C

HBA:	4	RingCount:	6
HBD:	1	FractionCSP3:	0.89
AlogP:	4.89	Num_rotatable_bonds:	0
MolWt:	428.61	Num_heavy_atoms:	31
TPSA:	55.76	NumAromaticRings:	0