Glycoside
...
GD150087

Name:
None

Formula:
C18H24O11

Smiles:
Cc1c(OC2OC(COC(=O)CC(C)(O)CC(=O)O)CC(O)C2O)occc1=O

Aglycone:
COC(=O)CC(C)(O)CC(=O)O.Cc1c(O)occc1=O

Sugarmoiety:
OC1CC(O)C(O)C(O)O1

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 4 FractionCSP3: 0.61
AlogP: -0.68 Num_rotatable_bonds: 8
MolWt: 416.38 Num_heavy_atoms: 29
TPSA: 172.96 NumAromaticRings: 1

Unique Aglycone
AD01854
Formula: C7H12O5

Smiles:
COC(=O)CC(C)(O)CC(=O)O
HBA: 5 RingCount: 0
HBD: 2 FractionCSP3: 0.71
AlogP: -0.22 Num_rotatable_bonds: 4
MolWt: 176.17 Num_heavy_atoms: 12
TPSA: 83.83 NumAromaticRings: 0
AD47049
Formula: C6H6O3

Smiles:
Cc1c(O)occc1=O
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.17
AlogP: 0.65 Num_rotatable_bonds: 0
MolWt: 126.11 Num_heavy_atoms: 9
TPSA: 50.44 NumAromaticRings: 1

Sugarmoiety
SD00402

OC1CC(O)C(O)C(O)O1