GD122263

Name:

10,20,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2,5-dihydrofuran-3-yl)-9-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-14-carbaldehyde

Formula:

C41H60O20

Smiles:

CC1CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2(O)OC3CC4(C=O)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)C(O)CC54O)CC3OC2O1

Aglycone:

CC1CC(O)C2(O)OC3CC4(C=O)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)C(O)CC54O)CC3OC2O1

Sugarmoiety:

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0103415

AD49251

Formula: C29H40O10

Smiles:

CC1CC(O)C2(O)OC3CC4(C=O)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)C(O)CC54O)CC3OC2O1

HBA:	10	RingCount:	7
HBD:	4	FractionCSP3:	0.86
AlogP:	0.97	Num_rotatable_bonds:	2
MolWt:	548.63	Num_heavy_atoms:	39
TPSA:	151.98	NumAromaticRings:	0