GD125598

Name:

2-{[3-hydroxy-6-(9-hydroxy-7,7,12,16-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl)-2-methylheptan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C47H80O19

Smiles:

CC(CCC(O)C(C)(C)OC1OC(CO)C(O)C(O)C1O)C1C(OC2OC(CO)C(O)C(O)C2O)CC2(C)C3CC(O)C4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC12C

Aglycone:

CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12C

Sugarmoiety:

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

Other Identifiers

• CNP0304312

AD11918

Formula: C30H52O5

Smiles:

CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12C

HBA:	5	RingCount:	5
HBD:	5	FractionCSP3:	1.0
AlogP:	4.28	Num_rotatable_bonds:	5
MolWt:	492.74	Num_heavy_atoms:	35
TPSA:	101.15	NumAromaticRings:	0