GD134051

Name:

10-({6-[({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-2-hydroxy-4,5,9,9,13,20,20-heptamethylhexacyclo[19.2.1.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-16-en-23-one

Formula:

C47H74O16

Smiles:

CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C23CC1CC3=O

Aglycone:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C23CC1CC3=O

Sugarmoiety:

OC1COC(OC2C(OCC3OC(O)C(O)C(O)C3O)OCC(O)C2O)C(O)C1O

Other Identifiers

• CNP0150487

AD54233

Formula: C31H48O3

Smiles:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C23CC1CC3=O

HBA:	3	RingCount:	6
HBD:	2	FractionCSP3:	0.9
AlogP:	6.32	Num_rotatable_bonds:	0
MolWt:	468.72	Num_heavy_atoms:	34
TPSA:	57.53	NumAromaticRings:	0