Glycoside
...
GD119389

Name:
3-({6-[(2,5-dihydroxy-1-oxo-7-phenyl-1H-phenalen-6-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3-oxopropanoic acid

Formula:
C28H24O12

Smiles:
O=C(O)CC(=O)OCC1OC(Oc2c(O)cc3c4c(ccc(-c5ccccc5)c24)C(=O)C(O)=C3)C(O)C(O)C1O

Aglycone:
COC(=O)CC(=O)O.O=C1C(O)=Cc2cc(O)c(O)c3c(-c4ccccc4)ccc1c23

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 6 FractionCSP3: 0.25
AlogP: 1.51 Num_rotatable_bonds: 7
MolWt: 552.49 Num_heavy_atoms: 40
TPSA: 200.28 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
AD47823
Formula: C19H12O4

Smiles:
O=C1C(O)=Cc2cc(O)c(O)c3c(-c4ccccc4)ccc1c23
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.0
AlogP: 4.01 Num_rotatable_bonds: 1
MolWt: 304.3 Num_heavy_atoms: 23
TPSA: 77.76 NumAromaticRings: 3

Sugarmoiety
SD00017

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