GD128230

Name:

2-{4-[16-({5-[(3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-15-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-6-yl]-2,2-dimethylbutoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C63H102O33

Smiles:

CC1=C(CCC(C)(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C12

Aglycone:

CC1=C(CCC(C)(C)CO)OC2CC3C4CC=C5CC(O)C(O)CC5(C)C4CCC3(C)C12

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)C(CO)OC(OC3C(OC4C(CO)OC(O)C(O)C4O)OC(CO)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0416642

AD51946

Formula: C28H44O4

Smiles:

CC1=C(CCC(C)(C)CO)OC2CC3C4CC=C5CC(O)C(O)CC5(C)C4CCC3(C)C12

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.86
AlogP:	4.98	Num_rotatable_bonds:	4
MolWt:	444.66	Num_heavy_atoms:	32
TPSA:	69.92	NumAromaticRings:	0