Glycoside
...
GD126067

Name:
None

Formula:
C24H22O16

Smiles:
O=C(O)CC(=O)OCC1OC(Oc2c(-c3cc(O)c(O)cc3O)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O

Aglycone:
COC(=O)CC(=O)O.O=c1c(O)c(-c2cc(O)c(O)cc2O)oc2cc(O)cc(O)c12

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

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 9 FractionCSP3: 0.29
AlogP: -0.81 Num_rotatable_bonds: 7
MolWt: 566.42 Num_heavy_atoms: 40
TPSA: 274.11 NumAromaticRings: 3

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
AD12267
Formula: C15H10O8

Smiles:
O=c1c(O)c(-c2cc(O)c(O)cc2O)oc2cc(O)cc(O)c12
HBA: 8 RingCount: 3
HBD: 6 FractionCSP3: 0.0
AlogP: 1.69 Num_rotatable_bonds: 1
MolWt: 318.24 Num_heavy_atoms: 23
TPSA: 151.59 NumAromaticRings: 3

Sugarmoiety
SD00017

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