Glycoside
...
GD114922

Name:
3-({6-[(7,8-dihydroxy-2-oxo-2H-chromen-5-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3-oxopropanoic acid

Formula:
C18H18O13

Smiles:
O=C(O)CC(=O)OCC1OC(Oc2cc(O)c(O)c3oc(=O)ccc23)C(O)C(O)C1O

Aglycone:
COC(=O)CC(=O)O.O=c1ccc2c(O)cc(O)c(O)c2o1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 6 FractionCSP3: 0.39
AlogP: -1.59 Num_rotatable_bonds: 6
MolWt: 442.33 Num_heavy_atoms: 31
TPSA: 213.42 NumAromaticRings: 2

Unique Aglycone
AD04733
Formula: C4H6O4

Smiles:
COC(=O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 118.09 Num_heavy_atoms: 8
TPSA: 63.6 NumAromaticRings: 0
AD45363
Formula: C9H6O5

Smiles:
O=c1ccc2c(O)cc(O)c(O)c2o1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: 0.91 Num_rotatable_bonds: 0
MolWt: 194.14 Num_heavy_atoms: 14
TPSA: 90.9 NumAromaticRings: 2

Sugarmoiety
SD00017

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