Glycoside
...
GD131225

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

Formula:
C27H34O11

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

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

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 6 FractionCSP3: 0.52
AlogP: 1.7 Num_rotatable_bonds: 11
MolWt: 534.56 Num_heavy_atoms: 38
TPSA: 191.05 NumAromaticRings: 2

Unique Aglycone
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
AD53084
Formula: C7H14O

Smiles:
CCC(C)CCC=O
HBA: 1 RingCount: 0
HBD: 0 FractionCSP3: 0.86
AlogP: 2.01 Num_rotatable_bonds: 4
MolWt: 114.19 Num_heavy_atoms: 8
TPSA: 17.07 NumAromaticRings: 0

Sugarmoiety
SD04299

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