Glycoside
...
GD021212

Name:
ALVARADOIN C

Formula:
C28H30O11

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

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 4 FractionCSP3: 0.39
AlogP: 1.76 Num_rotatable_bonds: 5
MolWt: 542.54 Num_heavy_atoms: 39
TPSA: 169.05 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
AD14532
Formula: C16H14O5

Smiles:
COc1cc(O)c2c(c1)C(O)c1cc(C)cc(O)c1C2=O
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.19
AlogP: 2.04 Num_rotatable_bonds: 1
MolWt: 286.28 Num_heavy_atoms: 21
TPSA: 86.99 NumAromaticRings: 2

Sugarmoiety
SD00658

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