GD117048

Name:

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

Formula:

C48H80O19

Smiles:

CC(C)=CCC(OC1OC(CO)C(O)C(O)C1O)C(C)C1C(O)CC2(C)C3CCC4C(C)(COC5OC(CO)C(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C

Aglycone:

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

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0165831

AD12488

Formula: C30H50O4

Smiles:

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

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