GD131659

Name:

2-[(2-{[4-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-7-hydroxy-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-icosahydro-1H-cyclopenta[a]chrysen-9-yl]oxy}-5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C56H94O25

Smiles:

CC(C)(O)C1CCC2(C)C1C(OC1OCC(O)C(OC3OCC(O)C(O)C3O)C1O)CC1(C)C2CCC2C3(C)CCC(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3C(O)CC21C

Aglycone:

CC(C)(O)C1CCC2(C)C1C(O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(O)CC21C

Sugarmoiety:

OC1COC(OC2C(O)COC(O)C2O)C(O)C1O.OCC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0275477

AD45741

Formula: C30H52O4

Smiles:

CC(C)(O)C1CCC2(C)C1C(O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(O)CC21C

HBA:	4	RingCount:	5
HBD:	4	FractionCSP3:	1.0
AlogP:	5.16	Num_rotatable_bonds:	1
MolWt:	476.74	Num_heavy_atoms:	34
TPSA:	80.92	NumAromaticRings:	0