GD117270

Name:

2-({6-[(6-{[6,19-dihydroxy-7,13,18-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-17-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-3-hydroxy-4-(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C58H98O29

Smiles:

CC(CCC1(O)OC2CC3C(CCC4C3CC(O)C3(C)C(OC5OC(CO)C(OC6CC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCCC43C)C2C1C)COC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(CO)CCC1(O)OC2CC3C(CCC4C3CC(O)C3(C)C(O)CCCC43C)C2C1C.OCC1CC(O)C(O)C(O)C1O

Sugarmoiety:

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

Other Identifiers

• CNP0264503

AD07534

Formula: C7H14O5

Smiles:

OCC1CC(O)C(O)C(O)C1O

HBA:	5	RingCount:	1
HBD:	5	FractionCSP3:	1.0
AlogP:	-2.56	Num_rotatable_bonds:	1
MolWt:	178.18	Num_heavy_atoms:	12
TPSA:	101.15	NumAromaticRings:	0

AD46732

Formula: C27H46O5

Smiles:

CC(CO)CCC1(O)OC2CC3C(CCC4C3CC(O)C3(C)C(O)CCCC43C)C2C1C

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	1.0
AlogP:	3.72	Num_rotatable_bonds:	4
MolWt:	450.66	Num_heavy_atoms:	32
TPSA:	90.15	NumAromaticRings:	0