GD131535

Name:

2-{[4,5-dihydroxy-2-({14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C46H76O17

Smiles:

CC1OC(OC2C(OC3CCC45CC46CCC4(C)C(C7(C)CCC(C(C)(C)O)O7)C(O)CC4(C)C6CC(OC4OCC(O)C(O)C4O)C5C3(C)C)OCC(O)C2O)C(O)C(O)C1O

Aglycone:

CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1

Sugarmoiety:

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O

Other Identifiers

• CNP0174224

AD04921

Formula: C30H50O5

Smiles:

CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1

HBA:	5	RingCount:	6
HBD:	4	FractionCSP3:	1.0
AlogP:	4.44	Num_rotatable_bonds:	2
MolWt:	490.73	Num_heavy_atoms:	35
TPSA:	90.15	NumAromaticRings:	0