GD132998

Name:

2-{[14-hydroxy-5,5,9-trimethyl-14-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-6-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

Formula:

C44H74O23

Smiles:

CC1(C)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)CCC2(C)C3CCC4CC3(CCC12)CC4(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)C(O)CCC2(C)C3CCC4CC3(CCC12)CC4(O)CO

Sugarmoiety:

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0301861

AD51353

Formula: C20H34O3

Smiles:

CC1(C)C(O)CCC2(C)C3CCC4CC3(CCC12)CC4(O)CO

HBA:	3	RingCount:	4
HBD:	3	FractionCSP3:	1.0
AlogP:	3.11	Num_rotatable_bonds:	1
MolWt:	322.49	Num_heavy_atoms:	23
TPSA:	60.69	NumAromaticRings:	0