Glycoside
...
GD133577

Name:
4-{[4-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)phenyl]methoxy}-3-benzyl-3-hydroxy-4-oxobutanoic acid

Formula:
C26H30O12

Smiles:
CC(=O)OCC1OC(Oc2ccc(COC(=O)C(O)(CC(=O)O)Cc3ccccc3)cc2)C(O)C(O)C1O

Aglycone:
COC(C)=O.O=C(O)CC(O)(Cc1ccccc1)C(=O)OCc1ccc(O)cc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 5 FractionCSP3: 0.42
AlogP: -0.07 Num_rotatable_bonds: 11
MolWt: 534.51 Num_heavy_atoms: 38
TPSA: 189.28 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD46307
Formula: C18H18O6

Smiles:
O=C(O)CC(O)(Cc1ccccc1)C(=O)OCc1ccc(O)cc1
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.22
AlogP: 1.88 Num_rotatable_bonds: 7
MolWt: 330.34 Num_heavy_atoms: 24
TPSA: 104.06 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O