GD142070

Name:

2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[7',9',13'-trimethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy]oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C51H82O24

Smiles:

CC1C2C(CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC32C)OC12CCC(COC1OC(CO)C(O)C(O)C1O)CO2

Aglycone:

CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(CO)CO2

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0103924

AD04584

Formula: C27H42O4

Smiles:

CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(CO)CO2

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	4.69	Num_rotatable_bonds:	1
MolWt:	430.63	Num_heavy_atoms:	31
TPSA:	58.92	NumAromaticRings:	0