GD141810

Name:

6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 8-(hydroxymethyl)-5a,5b,11a-trimethyl-1-(prop-1-en-2-yl)-9-({4,5,6-trihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate

Formula:

C58H94O27

Smiles:

C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(OC6OC(O)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(CO)C5CCC43C)C12

Aglycone:

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)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)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0087782

AD57101

Formula: C29H46O4

Smiles:

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

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.9
AlogP:	5.67	Num_rotatable_bonds:	3
MolWt:	458.68	Num_heavy_atoms:	33
TPSA:	77.76	NumAromaticRings:	0