Glycoside
...
GD139983

Name:
[3,4,5-tris(acetyloxy)-6-{[5,6-bis(acetyloxy)-9-oxo-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2,4,6,11(16),12,14-heptaen-14-yl]oxy}oxan-2-yl]methyl acetate

Formula:
C33H30O17

Smiles:
CC(=O)OCC1OC(Oc2ccc3c(c2)oc2c4ccc(OC(C)=O)c(OC(C)=O)c4oc(=O)c32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(=O)Oc1ccc2c(oc(=O)c3c4ccc(O)cc4oc23)c1OC(C)=O.COC(C)=O

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

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 0 FractionCSP3: 0.36
AlogP: 3.0 Num_rotatable_bonds: 9
MolWt: 698.59 Num_heavy_atoms: 50
TPSA: 219.61 NumAromaticRings: 4

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
AD56444
Formula: C19H12O8

Smiles:
CC(=O)Oc1ccc2c(oc(=O)c3c4ccc(O)cc4oc23)c1OC(C)=O
HBA: 8 RingCount: 4
HBD: 1 FractionCSP3: 0.11
AlogP: 3.25 Num_rotatable_bonds: 2
MolWt: 368.3 Num_heavy_atoms: 27
TPSA: 116.18 NumAromaticRings: 4

Sugarmoiety
SD00012

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