GD123048

Name:

2-({[2,31-dihydroxy-2,6,10,14,19,23,27,31-octamethyl-30-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methoxy)dotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaen-3-yl]oxy}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C54H80O16

Smiles:

CC(C=CC=C(C)C=CC=C(C)C=CC(OCOC1OC(CO)C(O)C(O)C1O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(OCOC1OC(CO)C(O)C(O)C1O)C(C)(C)O

Aglycone:

CC(C=CC=C(C)C=CC=C(C)C=CC(OCO)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(OCO)C(C)(C)O

Sugarmoiety:

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

Other Identifiers

• CNP0209856

AD49633

Formula: C42H60O6

Smiles:

CC(C=CC=C(C)C=CC=C(C)C=CC(OCO)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(OCO)C(C)(C)O

HBA:	6	RingCount:	0
HBD:	4	FractionCSP3:	0.38
AlogP:	8.77	Num_rotatable_bonds:	20
MolWt:	660.94	Num_heavy_atoms:	48
TPSA:	99.38	NumAromaticRings:	0