GD136513

Name:

2-(2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-1-(3,4-dihydroxy-5-{[16-hydroxy-6,6,10,14,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxolan-2-yl)ethoxy)oxane-3,4,5-triol

Formula:

C46H74O17

Smiles:

CC(C)=CC1COC23CC4(CO2)C2CCC5C(C)(C)C(OC6OC(C(COC7OC(CO)C(O)C7O)OC7OCC(O)C(O)C7O)C(O)C6O)CCC5(C)C2CCC4(C)C3C1(C)O

Aglycone:

CC(C)=CC1COC23CC4(CO2)C2CCC5C(C)(C)C(O)CCC5(C)C2CCC4(C)C3C1(C)O

Sugarmoiety:

OCC1OC(OCC(OC2OCC(O)C(O)C2O)C2OC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0291977

AD55187

Formula: C30H48O4

Smiles:

CC(C)=CC1COC23CC4(CO2)C2CCC5C(C)(C)C(O)CCC5(C)C2CCC4(C)C3C1(C)O

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	5.71	Num_rotatable_bonds:	1
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	58.92	NumAromaticRings:	0