GD122495

Name:

2-{2-[6-(4-{4,5-dihydroxy-6-[2-hydroxy-3-(4-hydroxy-6-{[5-hydroxy-6-(2,8,10-trihydroxy-6,12,15,18-tetramethyltetracos-23-en-1-yl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]methyl}-2-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)propyl]-6-methyloxan-2-yl}-2-hydroxybutyl)-3,4-dihydroxyoxan-2-yl]-2-hydroxyethyl}-7-{4-[10-(2,3-dihydroxyhexadec-15-en-1-yl)-12-hydroxy-5-methyl-1,7,9-trioxadispiro[5.1.5⁸.2⁶]pentadecan-2-yl]-1,3-dihydroxybutyl}oxepane-3,4,5-triol

Formula:

C110H198O38

Smiles:

C=CCCCCCCCCCCCC(O)C(O)CC1CC(O)CC2(CCC3(OC(CC(O)CC(O)C4CC(O)C(O)C(O)C(CC(O)C5OC(CC(O)CCC6CC(O)C(O)C(C)(CC(O)CC7(C)OC(CC8OC(CC(O)CCCC(C)CC(O)CC(O)CC(C)CCC(C)CCC(C)CCCCC=C)C(O)CC8OC8OC(C)C(O)C(O)C8O)CC(O)C7OC7OCC(O)C(O)C7O)O6)CC(O)C5O)O4)CCC3C)O2)O1

Aglycone:

C=CCCCCC(C)CCC(C)CCC(C)CC(O)CC(O)CC(C)CCCC(O)CC1OC(CC2CC(O)C(O)C(C)(CC(O)CC3(C)OC(CCC(O)CC4CC(O)C(O)C(C(C)O)O4)CC(O)C3O)O2)C(O)CC1O.C=CCCCCCCCCCCCC(O)C(O)CC1CC(O)CC2(CCC3(OC(CC(O)CCO)CCC3C)O2)O1

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.OC1CC(O)C(O)C(O)C(O)O1.OC1COC(O)C(O)C1O

Other Identifiers

• CNP0049245

AD49367

Formula: C60H112O18

Smiles:

C=CCCCCC(C)CCC(C)CCC(C)CC(O)CC(O)CC(C)CCCC(O)CC1OC(CC2CC(O)C(O)C(C)(CC(O)CC3(C)OC(CCC(O)CC4CC(O)C(O)C(C(C)O)O4)CC(O)C3O)O2)C(O)CC1O

HBA:	18	RingCount:	4
HBD:	14	FractionCSP3:	0.97
AlogP:	4.39	Num_rotatable_bonds:	35
MolWt:	1121.54	Num_heavy_atoms:	78
TPSA:	320.14	NumAromaticRings:	0

AD49368

Formula: C33H60O8

Smiles:

C=CCCCCCCCCCCCC(O)C(O)CC1CC(O)CC2(CCC3(OC(CC(O)CCO)CCC3C)O2)O1

HBA:	8	RingCount:	3
HBD:	5	FractionCSP3:	0.94
AlogP:	5.27	Num_rotatable_bonds:	19
MolWt:	584.84	Num_heavy_atoms:	41
TPSA:	128.84	NumAromaticRings:	0