Glycoside
...
GD143669

Name:
Ribocitrin

Formula:
C22H34O19

Smiles:
O=C(O)CCC(CC(=O)O)(OC1OC(CO)C(OC2OC(CO)C(O)C2OC2OC(CO)C(O)C2O)C1O)C(=O)O

Aglycone:
O=C(O)CCC(O)(CC(=O)O)C(=O)O

Sugarmoiety:
OCC1OC(OC2C(OC3C(CO)OC(O)C3O)OC(CO)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 3
HBD: 10 FractionCSP3: 0.86
AlogP: -5.47 Num_rotatable_bonds: 15
MolWt: 602.5 Num_heavy_atoms: 41
TPSA: 308.89 NumAromaticRings: 0

Unique Aglycone
AD57770
Formula: C7H10O7

Smiles:
O=C(O)CCC(O)(CC(=O)O)C(=O)O
HBA: 7 RingCount: 0
HBD: 4 FractionCSP3: 0.57
AlogP: -0.86 Num_rotatable_bonds: 6
MolWt: 206.15 Num_heavy_atoms: 14
TPSA: 132.13 NumAromaticRings: 0

Sugarmoiety
SD05620

OCC1OC(OC2C(OC3C(CO)OC(O)C3O)OC(CO)C2O)C(O)C1O