GD137649

Name:

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 6-{13,17-dihydroxy-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-methylhept-2-enoate

Formula:

C47H76O19

Smiles:

CC(=CCCC(C)C1CC(O)C2(C)C3CCC4C(C)(C)C(OC5OC(COC6OCC(O)C(O)C6O)C(O)C(O)C5O)CCC45CC35CC(O)C12C)C(=O)OC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(=CCCC(C)C1CC(O)C2(C)C3CCC4C(C)(C)C(O)CCC45CC35CC(O)C12C)C(=O)O

Sugarmoiety:

OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0360954

AD53730

Formula: C30H48O5

Smiles:

CC(=CCCC(C)C1CC(O)C2(C)C3CCC4C(C)(C)C(O)CCC45CC35CC(O)C12C)C(=O)O

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