Glycoside
...
GD018349

Name:
None

Formula:
C26H30O11N2

Smiles:
CONC(=O)c1c(O)oc2c(C)c(O[C@@H]3OC(C)(C)[C@H](OC)[C@H](OC(=O)c4ccc(C)[nH]4)[C@H]3O)ccc2c1=O

Aglycone:
CONC(=O)c1c(O)oc2c(C)c(O)ccc2c1=O.Cc1ccc(C(=O)O)[nH]1

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 4 FractionCSP3: 0.42
AlogP: 1.85 Num_rotatable_bonds: 7
MolWt: 546.53 Num_heavy_atoms: 39
TPSA: 178.78 NumAromaticRings: 3

Unique Aglycone
AD00152
Formula: C6H7O2N

Smiles:
Cc1ccc(C(=O)O)[nH]1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 1.02 Num_rotatable_bonds: 1
MolWt: 125.13 Num_heavy_atoms: 9
TPSA: 53.09 NumAromaticRings: 1
AD04181
Formula: C12H11O6N

Smiles:
CONC(=O)c1c(O)oc2c(C)c(O)ccc2c1=O
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.17
AlogP: 0.8 Num_rotatable_bonds: 2
MolWt: 265.22 Num_heavy_atoms: 19
TPSA: 109.0 NumAromaticRings: 2

Sugarmoiety
SD00066

COC1C(O)C(O)C(O)OC1(C)C