GD008977

Name:

None

Formula:

C78H124O25

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](O)[C@H]2OC(=O)C=Cc2ccccc2)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.CCC(C)C(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(O1)OC(C)C1OC(C)(C)OC12.CCCCCCCCCCCC(=O)O.O=C(O)C=Cc1ccccc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL4527053

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

AD00362

Formula: C9H8O2

Smiles:

O=C(O)C=Cc1ccccc1

HBA:	2	RingCount:	1
HBD:	1	FractionCSP3:	0.0
AlogP:	1.78	Num_rotatable_bonds:	2
MolWt:	148.16	Num_heavy_atoms:	11
TPSA:	37.3	NumAromaticRings:	1

AD00363

Formula: C5H10O2

Smiles:

CCC(C)C(=O)O

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

AD07098

Formula: C31H54O10

Smiles:

CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(O1)OC(C)C1OC(C)(C)OC12

HBA:	10	RingCount:	4
HBD:	2	FractionCSP3:	0.97
AlogP:	4.5	Num_rotatable_bonds:	4
MolWt:	586.76	Num_heavy_atoms:	41
TPSA:	122.14	NumAromaticRings:	0