Glycoside
...
GD131553

Name:
(2E,4E)‐5‐[(3S)‐5‐Acetyl‐8‐(Β‐D‐Glucopyranosyloxy)‐3,4‐Dihydro‐6‐Hydroxy‐1‐Oxo‐1H‐2‐Benzopyran‐3‐Yl]Penta‐2,4‐Dienal

Formula:
C22H24O11

Smiles:
CC(=O)c1c(O)cc(OC2OC(CO)C(O)C(O)C2O)c2c1CC(C=CC=CC=O)OC2=O

Aglycone:
CC(=O)c1c(O)cc(O)c2c1CC(C=CC=CC=O)OC2=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 5 FractionCSP3: 0.41
AlogP: -0.83 Num_rotatable_bonds: 7
MolWt: 464.42 Num_heavy_atoms: 33
TPSA: 180.05 NumAromaticRings: 1

Unique Aglycone
AD53292
Formula: C16H14O6

Smiles:
CC(=O)c1c(O)cc(O)c2c1CC(C=CC=CC=O)OC2=O
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.19
AlogP: 1.69 Num_rotatable_bonds: 4
MolWt: 302.28 Num_heavy_atoms: 22
TPSA: 100.9 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O