GD141396

Name:

3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl 2-[6-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-7-(hydroxymethyl)-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-3-hydroxy-6-methylhept-5-enoate

Formula:

C59H96O27

Smiles:

CC(C)=CCC(O)C(C(=O)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C3CCC4C(C)(CO)C(OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC45CC35CCC12C

Aglycone:

CC(C)=CCC(O)C(C(=O)O)C1CCC2(C)C3CCC4C(C)(CO)C(O)CCC45CC35CCC12C

Sugarmoiety:

CC1OC(OCC2OC(O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0367711

AD55325

Formula: C30H48O5

Smiles:

CC(C)=CCC(O)C(C(=O)O)C1CCC2(C)C3CCC4C(C)(CO)C(O)CCC45CC35CCC12C

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	0.9
AlogP:	5.18	Num_rotatable_bonds:	6
MolWt:	488.71	Num_heavy_atoms:	35
TPSA:	97.99	NumAromaticRings:	0