Glycoside
...
GD106995

Name:
None

Formula:
C24H22O13

Smiles:
O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2ccc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)[C@H](O)[C@@H](O)[C@@H]1O

Aglycone:
COC(=O)CC(=O)O.O=c1c(-c2ccc(O)cc2)coc2c(O)ccc(O)c12

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 6 FractionCSP3: 0.29
AlogP: 0.08 Num_rotatable_bonds: 7
MolWt: 518.43 Num_heavy_atoms: 37
TPSA: 213.42 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
AD44253
Formula: C15H10O5

Smiles:
O=c1c(-c2ccc(O)cc2)coc2c(O)ccc(O)c12
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.0
AlogP: 2.58 Num_rotatable_bonds: 1
MolWt: 270.24 Num_heavy_atoms: 20
TPSA: 90.9 NumAromaticRings: 3

Sugarmoiety
SD00017

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