GD114699

Name:

3-(acetyloxy)-2-{[7-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-6,6,10,15,16-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:

C51H80O18

Smiles:

CC(=O)OC1C(OC2(C)CC(C=C(C)C)OC34CC5(CO3)C3CCC6C(C)(C)C(OC7OCC(OC8OC(C)C(O)C(O)C8O)C(O)C7O)CCC6(C)C3CCC5C24C)OC(C)C(O)C1OC(C)=O

Aglycone:

CC(C)=CC1CC(C)(O)C2(C)C3CCC4C(CCC5C(C)(C)C(O)CCC45C)C34COC2(C4)O1

Sugarmoiety:

CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=O.CC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0100625

AD45222

Formula: C30H48O4

Smiles:

CC(C)=CC1CC(C)(O)C2(C)C3CCC4C(CCC5C(C)(C)C(O)CCC45C)C34COC2(C4)O1

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	5.86	Num_rotatable_bonds:	1
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	58.92	NumAromaticRings:	0