GD116499

Name:

2-({2-[(4,5-dihydroxy-2-{[14-hydroxy-15-(3-hydroxy-6-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C54H90O24

Smiles:

CC(=CCC(O)C(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C)COC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(=CCC(O)C(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)CO

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0248820

AD46274

Formula: C30H50O4

Smiles:

CC(=CCC(O)C(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)CO

HBA:	4	RingCount:	5
HBD:	4	FractionCSP3:	0.93
AlogP:	5.08	Num_rotatable_bonds:	5
MolWt:	474.73	Num_heavy_atoms:	34
TPSA:	80.92	NumAromaticRings:	0