Glycoside
...
GD002828

Name:
ALVARADOIN J

Formula:
C27H28O11

Smiles:
CC(=O)O[C@@H]1O[C@H]([C@]2(O)c3cccc(O)c3C(=O)c3c(O)cc(C)cc32)[C@H](O)[C@H](OC(=O)C=C(C)C)[C@H]1O

Aglycone:
CC(C)=CC(=O)O.Cc1cc(O)c2c(c1)C(O)c1cccc(O)c1C2=O

Sugarmoiety:
CC(=O)OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 5 FractionCSP3: 0.37
AlogP: 1.07 Num_rotatable_bonds: 4
MolWt: 528.51 Num_heavy_atoms: 38
TPSA: 180.05 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
AD02653
Formula: C15H12O4

Smiles:
Cc1cc(O)c2c(c1)C(O)c1cccc(O)c1C2=O
HBA: 4 RingCount: 3
HBD: 3 FractionCSP3: 0.13
AlogP: 2.03 Num_rotatable_bonds: 0
MolWt: 256.26 Num_heavy_atoms: 19
TPSA: 77.76 NumAromaticRings: 2

Sugarmoiety
SD00101

CC(=O)OC1OC(O)C(O)C(O)C1O