Glycoside
...
GD019104

Name:
(6-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-methylbutanoate

Formula:
C27H30O14

Smiles:
COc1c(O[C@@H]2O[C@H](COC(=O)CC(C)C)[C@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O

Aglycone:
COC(=O)CC(C)C.COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 7 FractionCSP3: 0.41
AlogP: 1.07 Num_rotatable_bonds: 8
MolWt: 578.52 Num_heavy_atoms: 41
TPSA: 225.81 NumAromaticRings: 3

Unique Aglycone
AD01663
Formula: C6H12O2

Smiles:
COC(=O)CC(C)C
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.83
AlogP: 1.21 Num_rotatable_bonds: 2
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 26.3 NumAromaticRings: 0
AD01718
Formula: C16H12O8

Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O
HBA: 8 RingCount: 3
HBD: 5 FractionCSP3: 0.06
AlogP: 2.0 Num_rotatable_bonds: 2
MolWt: 332.26 Num_heavy_atoms: 24
TPSA: 140.59 NumAromaticRings: 3

Sugarmoiety
SD00017

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