Glycoside
...
GD108080

Name:
None

Formula:
C25H28O10N2

Smiles:
CC(=O)N[C@H]1[C@H](OC(=O)c2cc(C)nc3ccccc23)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1cc(C(=O)O)c2ccccc2n1

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.44
AlogP: 1.36 Num_rotatable_bonds: 7
MolWt: 516.5 Num_heavy_atoms: 37
TPSA: 156.42 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
AD44356
Formula: C11H9O2N

Smiles:
Cc1cc(C(=O)O)c2ccccc2n1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.09
AlogP: 2.24 Num_rotatable_bonds: 1
MolWt: 187.2 Num_heavy_atoms: 14
TPSA: 50.19 NumAromaticRings: 2

Sugarmoiety
SD00131

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O