Glycoside
...
GD110040

Name:
2-(acetyloxy)-1-[3,4-bis(acetyloxy)-5-({2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(2-oxopropyl)-4H-chromen-7-yl}oxy)oxolan-2-yl]ethyl acetate

Formula:
C36H36O17

Smiles:
CC(=O)Cc1cc(O[C@@H]2O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc2oc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)cc(=O)c12

Aglycone:
CC(=O)Cc1cc(O)cc2oc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)cc(=O)c12.CC(=O)OCCOC(C)=O

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

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 0 FractionCSP3: 0.39
AlogP: 2.9 Num_rotatable_bonds: 13
MolWt: 740.67 Num_heavy_atoms: 53
TPSA: 223.54 NumAromaticRings: 3

Unique Aglycone
AD05458
Formula: C6H10O4

Smiles:
CC(=O)OCCOC(C)=O
HBA: 4 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.11 Num_rotatable_bonds: 3
MolWt: 146.14 Num_heavy_atoms: 10
TPSA: 52.6 NumAromaticRings: 0
AD44611
Formula: C22H18O8

Smiles:
CC(=O)Cc1cc(O)cc2oc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)cc(=O)c12
HBA: 8 RingCount: 3
HBD: 1 FractionCSP3: 0.18
AlogP: 3.15 Num_rotatable_bonds: 5
MolWt: 410.38 Num_heavy_atoms: 30
TPSA: 120.11 NumAromaticRings: 3

Sugarmoiety
SD00105

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