GD150641

Name:

10'-[(3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6',7'-dihydroxy-5-methyl-5'-oxo-3'-oxa-12'-thiaspiro[oxane-2,4'-tricyclo[7.3.0.0²,⁶]dodecan]-4-yl 4-hydroxybenzoate

Formula:

C40H56O23S

Smiles:

CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1C3SCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C3CC(O)C1(O)C2=O

Aglycone:

CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1C3SCC(O)C3CC(O)C1(O)C2=O

Sugarmoiety:

CC1OC(OC2C(O)C(CO)OC(OC3C(O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0104579

AD58903

Formula: C22H26O9S

Smiles:

CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1C3SCC(O)C3CC(O)C1(O)C2=O

HBA:	9	RingCount:	5
HBD:	4	FractionCSP3:	0.64
AlogP:	0.23	Num_rotatable_bonds:	2
MolWt:	466.51	Num_heavy_atoms:	32
TPSA:	142.75	NumAromaticRings:	1