GD149431

Name:

2-({3-[(4-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-15'-oloxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)oxane-3,4,5-triol

Formula:

C50H82O23

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7C(O)C(CO)OC(OC8C(O)OC(CO)C(O)C8OC8OCC(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(OC2C(CO)OC(O)C(O)C2O)C1O

Other Identifiers

• CNP0077166

AD04277

Formula: C27H44O4

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C1C2C

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	1.0
AlogP:	4.76	Num_rotatable_bonds:	0
MolWt:	432.65	Num_heavy_atoms:	31
TPSA:	58.92	NumAromaticRings:	0