GD148781

Name:

3-({5-[(5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)-5-({2-hydroxy-9-oxo-16-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadecanoyl}oxy)-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:

C91H150O44

Smiles:

CC1OC(OCCCCCCCC(=O)CCCCCCC(O)C(=O)OC2C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(COC8OCC(O)C(O)C8O)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4O)C(OC3OC(C)C(OC4OCC(OC5OCC(O)(CO)C5O)C(O)C4O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1.O=C(CCCCCCCO)CCCCCCC(O)C(=O)O

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(OC2OC(C)C(OC3OCC(OC4OCC(O)(CO)C4O)C(O)C3O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O.OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0310507

AD10010

Formula: C30H48O6

Smiles:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1

HBA:	6	RingCount:	5
HBD:	5	FractionCSP3:	0.9
AlogP:	4.15	Num_rotatable_bonds:	2
MolWt:	504.71	Num_heavy_atoms:	36
TPSA:	118.22	NumAromaticRings:	0

AD59520

Formula: C16H30O5

Smiles:

O=C(CCCCCCCO)CCCCCCC(O)C(=O)O

HBA:	5	RingCount:	0
HBD:	3	FractionCSP3:	0.88
AlogP:	2.67	Num_rotatable_bonds:	15
MolWt:	302.41	Num_heavy_atoms:	21
TPSA:	94.83	NumAromaticRings:	0