Glycoside
...
GD104995

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

Formula:
C31H30O14

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1c(-c2ccc3c(c2)OCCO3)coc2cc(O)ccc12

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 0 FractionCSP3: 0.39
AlogP: 2.69 Num_rotatable_bonds: 8
MolWt: 626.57 Num_heavy_atoms: 45
TPSA: 172.33 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
AD20889
Formula: C17H12O5

Smiles:
O=c1c(-c2ccc3c(c2)OCCO3)coc2cc(O)ccc12
HBA: 5 RingCount: 4
HBD: 1 FractionCSP3: 0.12
AlogP: 2.94 Num_rotatable_bonds: 1
MolWt: 296.28 Num_heavy_atoms: 22
TPSA: 68.9 NumAromaticRings: 3

Sugarmoiety
SD00012

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