GD140116

Name:

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

Formula:

C52H88O22

Smiles:

CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(OC4OC(CO)C(O)C(O)C4O)C4C(C)(C)C(OC5OCC(O)C(O)C5OC5OCC(O)C(O)C5OC5OC(C)C(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:

CC1OC(OC2C(OC3C(O)OCC(O)C3O)OCC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0102695

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