Glycoside
...
GD011945

Name:
ALVARADOIN A

Formula:
C28H30O10

Smiles:
COc1cc(O)c2c(c1)[C@H]([C@@H]1OC[C@H](OC(C)=O)[C@H](OC(=O)C=C(C)C)[C@H]1O)c1cc(C)cc(O)c1C2=O

Aglycone:
CC(C)=CC(=O)O.COc1cc(O)c2c(c1)Cc1cc(C)cc(O)c1C2=O

Sugarmoiety:
CC(=O)OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 3 FractionCSP3: 0.39
AlogP: 2.66 Num_rotatable_bonds: 5
MolWt: 526.54 Num_heavy_atoms: 38
TPSA: 148.82 NumAromaticRings: 2

Unique Aglycone
AD00258
Formula: C5H8O2

Smiles:
CC(C)=CC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.4
AlogP: 1.04 Num_rotatable_bonds: 1
MolWt: 100.12 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD09048
Formula: C16H14O4

Smiles:
COc1cc(O)c2c(c1)Cc1cc(C)cc(O)c1C2=O
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.19
AlogP: 2.55 Num_rotatable_bonds: 1
MolWt: 270.28 Num_heavy_atoms: 20
TPSA: 66.76 NumAromaticRings: 2

Sugarmoiety
SD00658

CC(=O)OC1COC(O)C(O)C1O