Glycoside
GD008919
Name:
NoneFormula:
C20H22O6N6Smiles:
Nc1nc(O)c2ncn([C@@H]3O[C@H](CNCC4=Cc5cc(O)ccc5OC4)[C@H](O)[C@H]3O)c2n1Aglycone:
CNCC1=Cc2cc(O)ccc2OC1.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.43 | Num_heavy_atoms: | 32 |
| TPSA: | 181.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
AD07063
Formula: C11H13O2N
Smiles:
CNCC1=Cc2cc(O)ccc2OC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.23 | Num_heavy_atoms: | 14 |
| TPSA: | 41.49 | NumAromaticRings: | 1 |
