GD155207

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

Formula:

C59H96O26

Smiles:

C=C(C)C1CC(C(=O)OC2OC(COC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C(O)C(O)C2O)C2CCC3(C)C(CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C12

Aglycone:

C=C(C)C1CC(C(=O)O)C2CCC3(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

• CNP0284611

AD61578

Formula: C30H48O4

Smiles:

C=C(C)C1CC(C(=O)O)C2CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C12

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.9
AlogP:	5.92	Num_rotatable_bonds:	3
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0