Glycoside
...
GD131751

Name:
2-(3-{1-[(2,3-dihydroxy-2-methylbutanoyl)oxy]ethyl}-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl)acetic acid

Formula:
C22H34O15

Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C(C)OC(=O)C(C)(O)C(C)O)C1CC(=O)O

Aglycone:
COC(=O)C1=COC(O)C(C(C)OC(=O)C(C)(O)C(C)O)C1CC(=O)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 7 FractionCSP3: 0.77
AlogP: -3.01 Num_rotatable_bonds: 10
MolWt: 538.5 Num_heavy_atoms: 37
TPSA: 238.97 NumAromaticRings: 0

Unique Aglycone
AD53362
Formula: C16H24O10

Smiles:
COC(=O)C1=COC(O)C(C(C)OC(=O)C(C)(O)C(C)O)C1CC(=O)O
HBA: 10 RingCount: 1
HBD: 4 FractionCSP3: 0.69
AlogP: -0.84 Num_rotatable_bonds: 7
MolWt: 376.36 Num_heavy_atoms: 26
TPSA: 159.82 NumAromaticRings: 0

Sugarmoiety
SD00003

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