Glycoside
...
GD108573

Name:
None

Formula:
C29H32O13

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2cccc3c2C(=O)[C@@H]2CC(C)=C[C@@H](O)[C@@H]2C3=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC1=CC(O)C2C(=O)c3cccc(O)c3C(=O)C2C1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 1 FractionCSP3: 0.52
AlogP: 1.47 Num_rotatable_bonds: 7
MolWt: 588.56 Num_heavy_atoms: 42
TPSA: 178.03 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
AD44450
Formula: C15H14O4

Smiles:
CC1=CC(O)C2C(=O)c3cccc(O)c3C(=O)C2C1
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.33
AlogP: 1.71 Num_rotatable_bonds: 0
MolWt: 258.27 Num_heavy_atoms: 19
TPSA: 74.6 NumAromaticRings: 1

Sugarmoiety
SD00012

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