Glycoside
...
GD136183

Name:
3-oxo-3-[(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-6-(propan-2-yl)-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid

Formula:
C27H28O12

Smiles:
CC(C)c1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1OC1OC(COC(=O)CC(=O)O)C(O)C(O)C1O

Aglycone:
CC(C)c1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O.COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 5 FractionCSP3: 0.37
AlogP: 1.49 Num_rotatable_bonds: 8
MolWt: 544.51 Num_heavy_atoms: 39
TPSA: 193.19 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
AD50204
Formula: C18H16O4

Smiles:
CC(C)c1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.17
AlogP: 3.99 Num_rotatable_bonds: 2
MolWt: 296.32 Num_heavy_atoms: 22
TPSA: 70.67 NumAromaticRings: 3

Sugarmoiety
SD00017

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