GD125937

Name:

{6-[(2-{[10,20-bis(hydroxymethyl)-6,10,14,15,20-pentamethyl-22-oxo-21-oxahexacyclo[17.3.2.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]tetracosan-9-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetate

Formula:

C44H70O16

Smiles:

CC(=O)OCC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C67CCC(C6CCC45C)C(C)(CO)OC7=O)C3(C)CO)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1(CO)OC(=O)C23CCC1C2CCC1(C)C3CCC2C3(C)CCC(O)C(C)(CO)C3CCC21C.COC(C)=O

Sugarmoiety:

OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0282584

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD50936

Formula: C30H48O5

Smiles:

CC1(CO)OC(=O)C23CCC1C2CCC1(C)C3CCC2C3(C)CCC(O)C(C)(CO)C3CCC21C

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	0.97
AlogP:	4.71	Num_rotatable_bonds:	2
MolWt:	488.71	Num_heavy_atoms:	35
TPSA:	86.99	NumAromaticRings:	0