GD133709

Name:

6-{[8a-(acetyloxy)-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:

C55H86O25

Smiles:

CC(=O)OC12CCC(C)(C)CC1C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)CC2=O

Aglycone:

CC(=O)OC12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2=O

Sugarmoiety:

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CNP0109420

AD54102

Formula: C31H48O4

Smiles:

CC(=O)OC12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2=O

HBA:	4	RingCount:	5
HBD:	1	FractionCSP3:	0.87
AlogP:	6.64	Num_rotatable_bonds:	1
MolWt:	484.72	Num_heavy_atoms:	35
TPSA:	63.6	NumAromaticRings:	0