GD122960

Name:

methyl 11-({7-[(3,4-dihydroxy-6-methyl-5-{[6-methyl-2-(propan-2-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy}oxan-2-yl)oxy]-6-methyl-2-(propan-2-yl)-hexahydro-[1,3]dioxolo[4,5-c]pyran-4-yl}oxy)hexadecanoate

Formula:

C49H86O19

Smiles:

CCCCCC(CCCCCCCCCC(=O)OC)OC1OC(C)C(OC2OC(C)C(OC3OC(C)C(OC4OC(C)C(O)C(O)C4O)C4OC(C(C)C)OC34)C(O)C2O)C2OC(C(C)C)OC12

Aglycone:

CC(C)C1OC2C(O)OC(C)C(O)C2O1.CCCCCC(CCCCCCCCCC(=O)OC)OC1OC(C)C(O)C2OC(C(C)C)OC12

Sugarmoiety:

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

Other Identifiers

• CNP0311824

AD49594

Formula: C10H18O5

Smiles:

CC(C)C1OC2C(O)OC(C)C(O)C2O1

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.15	Num_rotatable_bonds:	1
MolWt:	218.25	Num_heavy_atoms:	15
TPSA:	68.15	NumAromaticRings:	0

AD49595

Formula: C27H50O7

Smiles:

CCCCCC(CCCCCCCCCC(=O)OC)OC1OC(C)C(O)C2OC(C(C)C)OC12

HBA:	7	RingCount:	2
HBD:	1	FractionCSP3:	0.96
AlogP:	5.51	Num_rotatable_bonds:	17
MolWt:	486.69	Num_heavy_atoms:	34
TPSA:	83.45	NumAromaticRings:	0