GD148371

Name:

10-{[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl)oxy]methyl}-18-hydroxy-6,10,14,15,20-pentamethyl-22-oxo-21-oxahexacyclo[17.3.2.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]tetracosane-20-carboxylic acid

Formula:

C47H74O20

Smiles:

CC1(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C2O)CCCC2(C)C1CCC1(C)C2CCC2C1(C)CCC1(O)C3CCC21C(=O)OC3(C)C(=O)O

Aglycone:

CC1(CO)CCCC2(C)C1CCC1(C)C2CCC2C1(C)CCC1(O)C3CCC21C(=O)OC3(C)C(=O)O

Sugarmoiety:

OCC1OC(OC2C(O)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0110485

AD46300

Formula: C30H46O6

Smiles:

CC1(CO)CCCC2(C)C1CCC1(C)C2CCC2C1(C)CCC1(O)C3CCC21C(=O)OC3(C)C(=O)O

HBA:	6	RingCount:	6
HBD:	3	FractionCSP3:	0.93
AlogP:	4.95	Num_rotatable_bonds:	2
MolWt:	502.69	Num_heavy_atoms:	36
TPSA:	104.06	NumAromaticRings:	0