Glycoside
...
GD107059

Name:
None

Formula:
C25H24O13

Smiles:
COc1cc(O[C@@H]2O[C@@H](COC(=O)CC(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c2occ(-c3ccc(O)cc3)c(=O)c2c1

Aglycone:
COC(=O)CC(=O)O.COc1cc(O)c2occ(-c3ccc(O)cc3)c(=O)c2c1

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 5 FractionCSP3: 0.32
AlogP: 0.38 Num_rotatable_bonds: 8
MolWt: 532.45 Num_heavy_atoms: 38
TPSA: 202.42 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
AD44270
Formula: C16H12O5

Smiles:
COc1cc(O)c2occ(-c3ccc(O)cc3)c(=O)c2c1
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.06
AlogP: 2.88 Num_rotatable_bonds: 2
MolWt: 284.27 Num_heavy_atoms: 21
TPSA: 79.9 NumAromaticRings: 3

Sugarmoiety
SD00017

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