Glycoside
...
GD131617

Name:
3-(acetyloxy)-2-hydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-3-yl]oxy}-4-methylcyclohexyl acetate

Formula:
C32H36O15

Smiles:
CC(=O)OC1C(C)CC(Oc2c(-c3ccc(O)cc3)oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c2=O)C(OC(C)=O)C1O

Aglycone:
CC(=O)OC1C(C)CC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(OC(C)=O)C1O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 6 FractionCSP3: 0.47
AlogP: 1.09 Num_rotatable_bonds: 7
MolWt: 660.63 Num_heavy_atoms: 47
TPSA: 231.88 NumAromaticRings: 3

Unique Aglycone
AD53309
Formula: C26H26O11

Smiles:
CC(=O)OC1C(C)CC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(OC(C)=O)C1O
HBA: 11 RingCount: 4
HBD: 4 FractionCSP3: 0.35
AlogP: 2.59 Num_rotatable_bonds: 5
MolWt: 514.48 Num_heavy_atoms: 37
TPSA: 172.96 NumAromaticRings: 3

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O