GD144605

Name:

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

Formula:

C46H74O17

Smiles:

CC(C)=CC1CC(OC2OC(C)C(O)C(O)C2O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C34COC2(C4)O1

Aglycone:

CC(C)=CC1CC(O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34COC2(C4)O1

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0326894

AD55905

Formula: C29H46O4

Smiles:

CC(C)=CC1CC(O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34COC2(C4)O1

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	5.46	Num_rotatable_bonds:	1
MolWt:	458.68	Num_heavy_atoms:	33
TPSA:	58.92	NumAromaticRings:	0