GD139402

Name:

10'-({3-[(3,5-dihydroxy-4-{[4-hydroxy-4-(hydroxymethyl)-3-methyloxolan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-methyloxan-2-yl}oxy)-6',7'-dihydroxy-5-methyl-5',12'-dioxo-3'-oxa-12'λ⁴-thiaspiro[oxane-2,4'-tricyclo[7.3.0.0²,⁶]dodecan]-4-yl 4-hydroxybenzoate

Formula:

C40H56O22S

Smiles:

CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1C3C(CC(O)C1(O)C2=O)C(OC1OC(C)C(O)C(O)C1OC1OC(CO)C(O)C(OC2OCC(O)(CO)C2C)C1O)CS3=O

Aglycone:

CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1C3C(CC(O)C1(O)C2=O)C(O)CS3=O

Sugarmoiety:

CC1OC(O)C(OC2OC(CO)C(O)C(OC3OCC(O)(CO)C3C)C2O)C(O)C1O

Other Identifiers

• CNP0200577

AD45861

Formula: C22H26O10S

Smiles:

CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1C3C(CC(O)C1(O)C2=O)C(O)CS3=O

HBA:	10	RingCount:	5
HBD:	4	FractionCSP3:	0.64
AlogP:	-0.76	Num_rotatable_bonds:	2
MolWt:	482.51	Num_heavy_atoms:	33
TPSA:	159.82	NumAromaticRings:	1