Glycoside
...
GD109292

Name:
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-7-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-4H-chromene-2-carboxylic acid

Formula:
C32H30O16

Smiles:
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(=O)O)oc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(O)c1oc2cc(O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2

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

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 1 FractionCSP3: 0.38
AlogP: 2.39 Num_rotatable_bonds: 9
MolWt: 670.58 Num_heavy_atoms: 48
TPSA: 209.63 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
AD44221
Formula: C18H12O7

Smiles:
O=C(O)c1oc2cc(O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2
HBA: 7 RingCount: 4
HBD: 2 FractionCSP3: 0.11
AlogP: 2.64 Num_rotatable_bonds: 2
MolWt: 340.29 Num_heavy_atoms: 25
TPSA: 106.2 NumAromaticRings: 3

Sugarmoiety
SD00012

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