Glycoside
GD033431
Name:
NoneFormula:
C18H22O8N4Smiles:
COc1cc(NC(=O)[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)cc(OC)c1OCAglycone:
COc1cc(NC=O)cc(OC)c1OC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.39 | Num_heavy_atoms: | 30 |
| TPSA: | 167.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD16856
Formula: C10H13O4N
Smiles:
COc1cc(NC=O)cc(OC)c1OC| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 211.22 | Num_heavy_atoms: | 15 |
| TPSA: | 56.79 | NumAromaticRings: | 1 |
