GD128678

Name:

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

Formula:

C52H88O22

Smiles:

CC(CCC(O)C(C)(C)OC1OCC(O)C(O)C1O)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(OC5OC(CO)C(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)OC(CO)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O

Other Identifiers

• CNP0178263

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