GD124373

Name:

9-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-8-(hydroxymethyl)-1-(2-hydroxypropan-2-yl)-5a,5b,8,11a-tetramethyl-icosahydro-1H-cyclopenta[a]chrysen-3a-yl 6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxane-2-carboxylate

Formula:

C59H98O27

Smiles:

CC1OC(OC2C(CO)OC(OCC3OC(C(=O)OC45CCC(C(C)(C)O)C4C4CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC(C)(O)C1CCC2(OC=O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C12

Sugarmoiety:

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0089095

AD50239

Formula: C30H50O5

Smiles:

CC(C)(O)C1CCC2(OC=O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C12

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.97
AlogP:	5.1	Num_rotatable_bonds:	4
MolWt:	490.73	Num_heavy_atoms:	35
TPSA:	86.99	NumAromaticRings:	0