Glycoside
...
GD120134

Name:
3-{[4-(1,4-dihydroxybutyl)-3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}-3-oxopropanoic acid

Formula:
C28H30O14

Smiles:
O=C(O)CC(=O)OCC1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(O)C(O)(C(O)CCCO)C1O

Aglycone:
COC(=O)CC(=O)O.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12.OCCCCO

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 7 FractionCSP3: 0.39
AlogP: -0.13 Num_rotatable_bonds: 11
MolWt: 590.53 Num_heavy_atoms: 42
TPSA: 233.65 NumAromaticRings: 3

Unique Aglycone
AD04556
Formula: C15H10O4

Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 2.87 Num_rotatable_bonds: 1
MolWt: 254.24 Num_heavy_atoms: 19
TPSA: 70.67 NumAromaticRings: 3
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
AD09062
Formula: C4H10O2

Smiles:
OCCCCO
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -0.25 Num_rotatable_bonds: 3
MolWt: 90.12 Num_heavy_atoms: 6
TPSA: 40.46 NumAromaticRings: 0

Sugarmoiety
SD04461

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