GD142241

Name:

3-(acetyloxy)-2-({7-[(3,4-dihydroxy-5-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)methoxy]methyl}oxan-2-yl)methoxy]-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-16-yl}oxy)-5-hydroxy-6-methyloxan-4-yl acetate

Formula:

C54H86O18

Smiles:

CC(=O)OC1C(OC2(C)CC(C=C(C)C)OC34CC5(CO3)C(CCC3C6(C)CCC(OCC7OCC(COCC8OC(C)C(O)C(O)C8O)C(O)C7O)C(C)(C)C6CCC35C)C24)OC(C)C(O)C1OC(C)=O

Aglycone:

COCC1COC(COC2CCC3(C)C(CCC4(C)C3CCC3C5C(C)(O)CC(C=C(C)C)OC56CC34CO6)C2(C)C)C(O)C1O

Sugarmoiety:

CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=O.CC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0224479

AD57249

Formula: C38H62O8

Smiles:

COCC1COC(COC2CCC3(C)C(CCC4(C)C3CCC3C5C(C)(O)CC(C=C(C)C)OC56CC34CO6)C2(C)C)C(O)C1O

HBA:	8	RingCount:	7
HBD:	3	FractionCSP3:	0.95
AlogP:	5.26	Num_rotatable_bonds:	6
MolWt:	646.91	Num_heavy_atoms:	46
TPSA:	106.84	NumAromaticRings:	0