Glycoside
...
GD003014

Name:
None

Formula:
C27H30O12

Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@H](CC=C(C)C)C2=CC(=O)c3c(O)ccc(O)c3C2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.44
AlogP: 2.3 Num_rotatable_bonds: 9
MolWt: 546.53 Num_heavy_atoms: 39
TPSA: 171.96 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
AD02790
Formula: C16H16O5

Smiles:
CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.25
AlogP: 2.12 Num_rotatable_bonds: 3
MolWt: 288.3 Num_heavy_atoms: 21
TPSA: 94.83 NumAromaticRings: 1

Sugarmoiety
SD00105

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