GD136009

Name:

2-[(2-{[14,18-dihydroxy-15-(5-hydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C48H82O19

Smiles:

CC(C)C(O)CCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)CCC45CC35C(O)CC12C

Aglycone:

CC(C)C(O)CCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35C(O)CC12C

Sugarmoiety:

OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0108479

AD45551

Formula: C30H52O4

Smiles:

CC(C)C(O)CCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35C(O)CC12C

HBA:	4	RingCount:	5
HBD:	4	FractionCSP3:	1.0
AlogP:	5.16	Num_rotatable_bonds:	5
MolWt:	476.74	Num_heavy_atoms:	34
TPSA:	80.92	NumAromaticRings:	0