Glycoside
...
GD148933

Name:
4-({3-[(6-{[(3-carboxy-2-hydroxypropanoyl)oxy]methyl}-5-[(6-{[(3-carboxy-2-hydroxypropanoyl)oxy]methyl}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl)oxy]-6-[(2-{[(3-carboxy-2-hydroxypropanoyl)oxy]methyl}-6-[(2-{[(3-carboxy-2-hydroxypropanoyl)oxy]methyl}-4,5,6-trihydroxyoxan-3-yl)oxy]-4,5-dihydroxyoxan-3-yl)oxy]-4,5-dihydroxyoxan-2-yl}methoxy)-3-hydroxy-4-oxobutanoic acid

Formula:
C56H82O51

Smiles:
O=C(O)CC(O)C(=O)OCC1OC(O)C(O)C(O)C1OC1OC(COC(=O)C(O)CC(=O)O)C(OC2OC(COC(=O)C(O)CC(=O)O)C(OC3OC(COC(=O)C(O)CC(=O)O)C(OC4OC(COC(=O)C(O)CC(=O)O)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O

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

Sugarmoiety:
OCC1OC(OC2C(O)OC(OC3C(O)OC(OC4C(O)OC(OC5C(O)OC(OC6C(O)OC(O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 51 RingCount: 6
HBD: 25 FractionCSP3: 0.82
AlogP: -17.17 Num_rotatable_bonds: 36
MolWt: 1571.22 Num_heavy_atoms: 107
TPSA: 824.13 NumAromaticRings: 0

Unique Aglycone
AD46285
Formula: C5H8O5

Smiles:
COC(=O)C(O)CC(=O)O
HBA: 5 RingCount: 0
HBD: 2 FractionCSP3: 0.6
AlogP: -1.01 Num_rotatable_bonds: 3
MolWt: 148.11 Num_heavy_atoms: 10
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD09606

OCC1OC(OC2C(O)OC(OC3C(O)OC(OC4C(O)OC(OC5C(O)OC(OC6C(O)OC(O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O