Glycoside
...
GD131452

Name:
6-acetyl-4-{[5-(cyclohexylmethyl)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-7-methylnaphthalene-2-carboxylic acid

Formula:
C27H34O10

Smiles:
CC(=O)c1c(C)cc2cc(C(=O)O)cc(OC3OC(CO)C(O)(CC4CCCCC4)C(O)C3O)c2c1O

Aglycone:
CC(=O)c1c(C)cc2cc(C(=O)O)cc(O)c2c1O.CC1CCCCC1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 6 FractionCSP3: 0.56
AlogP: 2.27 Num_rotatable_bonds: 7
MolWt: 518.56 Num_heavy_atoms: 37
TPSA: 173.98 NumAromaticRings: 2

Unique Aglycone
AD17968
Formula: C7H14

Smiles:
CC1CCCCC1
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 1.0
AlogP: 2.59 Num_rotatable_bonds: 0
MolWt: 98.19 Num_heavy_atoms: 7
TPSA: 0.0 NumAromaticRings: 0
AD45063
Formula: C14H12O5

Smiles:
CC(=O)c1c(C)cc2cc(C(=O)O)cc(O)c2c1O
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.14
AlogP: 2.46 Num_rotatable_bonds: 2
MolWt: 260.24 Num_heavy_atoms: 19
TPSA: 94.83 NumAromaticRings: 2

Sugarmoiety
SD04299

OCC1OC(O)C(O)C(O)C1(O)O