GD037298

Name:

None

Formula:

C72H122O24

Smiles:

CCCCCCCCCCCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](C)O[C@@H]3O[C@H]4[C@@H](O[C@@H](C)[C@@H]5OC(C)(C)O[C@H]54)O[C@H](CCCCC)CCCCCCCCCC(=O)O[C@H]3[C@H]2O[C@@H]2O[C@H](C)[C@H](OC(=O)[C@H](C)CC)[C@@H]3OC(C)(C)O[C@H]23)O[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@@H]3OC(C)(C)O[C@H]23)[C@H]1O

Aglycone:

CC1OC(O)C2OC(C)(C)OC2C1O.CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2OC2OC(C)C(OC(=O)C(C)CC)C3OC(C)(C)OC23)OC2C(O1)OC(C)C1OC(C)(C)OC12.CCCCCCCCCCCC(=O)O

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4558489

AD00188

Formula: C12H24O2

Smiles:

CCCCCCCCCCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.92
AlogP:	3.99	Num_rotatable_bonds:	10
MolWt:	200.32	Num_heavy_atoms:	14
TPSA:	37.3	NumAromaticRings:	0

AD07097

Formula: C9H16O5

Smiles:

CC1OC(O)C2OC(C)(C)OC2C1O

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.4	Num_rotatable_bonds:	0
MolWt:	204.22	Num_heavy_atoms:	14
TPSA:	68.15	NumAromaticRings:	0

AD23505

Formula: C45H76O15

Smiles:

CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2OC2OC(C)C(OC(=O)C(C)CC)C3OC(C)(C)OC23)OC2C(O1)OC(C)C1OC(C)(C)OC12

HBA:	15	RingCount:	6
HBD:	1	FractionCSP3:	0.96
AlogP:	6.75	Num_rotatable_bonds:	9
MolWt:	857.09	Num_heavy_atoms:	60
TPSA:	165.13	NumAromaticRings:	0