Glycoside
...
GD002117

Name:
[(2R,3R,4S,5R,6S)-3,4,5-Triacetyloxy-6-[5-Acetyloxy-2-(3,4-Diacetyloxyphenyl)-4-Oxochromen-7-Yl]Oxyoxan-2-Yl]Methyl Acetate

Formula:
C35H34O18

Smiles:
CC(=O)OCC1OC(Oc2cc(OC(C)=O)c3c(=O)cc(-c4ccc(OC(C)=O)c(OC(C)=O)c4)oc3c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(=O)Oc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(O)cc3o2)cc1OC(C)=O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 0 FractionCSP3: 0.37
AlogP: 2.7 Num_rotatable_bonds: 11
MolWt: 742.64 Num_heavy_atoms: 53
TPSA: 232.77 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD02050
Formula: C21H16O9

Smiles:
CC(=O)Oc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(O)cc3o2)cc1OC(C)=O
HBA: 9 RingCount: 3
HBD: 1 FractionCSP3: 0.14
AlogP: 2.94 Num_rotatable_bonds: 4
MolWt: 412.35 Num_heavy_atoms: 30
TPSA: 129.34 NumAromaticRings: 3

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O