Glycoside
...
GD109831

Name:
None

Formula:
C27H29O12N

Smiles:
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(/C(=N\O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.ON=C(c1ccccc1)c1ccc(O)cc1O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.37
AlogP: 2.08 Num_rotatable_bonds: 9
MolWt: 559.52 Num_heavy_atoms: 40
TPSA: 176.48 NumAromaticRings: 2

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
AD44577
Formula: C13H11O3N

Smiles:
ON=C(c1ccccc1)c1ccc(O)cc1O
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: 2.32 Num_rotatable_bonds: 2
MolWt: 229.23 Num_heavy_atoms: 17
TPSA: 73.05 NumAromaticRings: 2

Sugarmoiety
SD00012

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