GD140406

Name:

2-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-2-{[6,6,10,14,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-16-[(3,4,5-trihydroxyoxan-2-yl)oxy]-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C52H84O22

Smiles:

CC(C)=CC1CC(C)(OC2OCC(O)C(O)C2O)C2C3(CC4(CO3)C3CCC5C(C)(C)C(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C6O)CCC5(C)C3CCC24C)O1

Aglycone:

CC(C)=CC1CC(C)(O)C2C3(CC4(CO3)C3CCC5C(C)(C)C(O)CCC5(C)C3CCC24C)O1

Sugarmoiety:

OC1COC(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0326719

AD56021

Formula: C30H48O4

Smiles:

CC(C)=CC1CC(C)(O)C2C3(CC4(CO3)C3CCC5C(C)(C)C(O)CCC5(C)C3CCC24C)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