GD138084

Name:

16-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-6-methoxy-7,9,13-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]icosane-12,15,18-triol

Formula:

C52H88O26

Smiles:

COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5(O)CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4(O)CCC3(C)C2C1C

Aglycone:

COC1(CCC(C)CO)OC2CC3C4CCC5(O)CC(O)C(O)CC5(C)C4(O)CCC3(C)C2C1C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0242787

AD55756

Formula: C28H48O7

Smiles:

COC1(CCC(C)CO)OC2CC3C4CCC5(O)CC(O)C(O)CC5(C)C4(O)CCC3(C)C2C1C

HBA:	7	RingCount:	5
HBD:	5	FractionCSP3:	1.0
AlogP:	2.6	Num_rotatable_bonds:	5
MolWt:	496.69	Num_heavy_atoms:	35
TPSA:	119.61	NumAromaticRings:	0