Glycoside
...
GD004749

Name:
None

Formula:
C27H34O9N2

Smiles:
CNCCOc1cc(=O)oc2c(C)c(O[C@@H]3OC(C)(C)[C@H](OC)[C@H](OC(=O)c4ccc(C)[nH]4)[C@H]3O)ccc12

Aglycone:
CNCCOc1cc(=O)oc2c(C)c(O)ccc12.Cc1ccc(C(=O)O)[nH]1

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 3 FractionCSP3: 0.48
AlogP: 2.45 Num_rotatable_bonds: 9
MolWt: 530.57 Num_heavy_atoms: 38
TPSA: 141.48 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
AD04106
Formula: C13H15O4N

Smiles:
CNCCOc1cc(=O)oc2c(C)c(O)ccc12
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.31
AlogP: 1.41 Num_rotatable_bonds: 4
MolWt: 249.27 Num_heavy_atoms: 18
TPSA: 71.7 NumAromaticRings: 2

Sugarmoiety
SD00066

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