Glycoside
...
GD139442

Name:
4-(acetyloxy)-2-[(acetyloxy)methyl]-5-(hydroxymethyl)-2-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxolan-3-yl 3-(4-hydroxyphenyl)prop-2-enoate

Formula:
C33H40O19

Smiles:
CC(=O)OCC1OC(OC2(COC(C)=O)OC(CO)C(OC(C)=O)C2OC(=O)C=Cc2ccc(O)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.COC(C)=O.O=C(O)C=Cc1ccc(O)cc1

Sugarmoiety:
CC(=O)OC1C(O)OC(OC2(O)OC(CO)C(OC(C)=O)C2O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 19 RingCount: 3
HBD: 2 FractionCSP3: 0.55
AlogP: 0.0 Num_rotatable_bonds: 14
MolWt: 740.66 Num_heavy_atoms: 52
TPSA: 252.25 NumAromaticRings: 1

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
AD00021
Formula: C9H8O3

Smiles:
O=C(O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1

Sugarmoiety
SD08446

CC(=O)OC1C(O)OC(OC2(O)OC(CO)C(OC(C)=O)C2O)C(OC(C)=O)C1OC(C)=O