Glycoside
...
GD130992

Name:
6-acetyl-5,8-dihydroxy-7-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)-5-(3-methyl-6-oxohexyl)oxan-2-yl]oxy}naphthalene-2-carboxylic acid

Formula:
C27H34O12

Smiles:
CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(OC3OC(CO)C(O)(CCC(C)CCC=O)C(O)C3O)c2c1O

Aglycone:
CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O)c2c1O.CCC(C)CCC=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.52
AlogP: 1.4 Num_rotatable_bonds: 11
MolWt: 550.56 Num_heavy_atoms: 39
TPSA: 211.28 NumAromaticRings: 2

Unique Aglycone
AD47220
Formula: C14H12O6

Smiles:
CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O)c2c1O
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.14
AlogP: 2.17 Num_rotatable_bonds: 2
MolWt: 276.24 Num_heavy_atoms: 20
TPSA: 115.06 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