Glycoside
GD011283
Name:
NoneFormula:
C21H22O4N4Smiles:
O=C(NC[C@]1(O)CO[C@H](Cn2nncc2-c2ccccc2)[C@H]1O)c1ccccc1Aglycone:
CNC(=O)c1ccccc1.Cn1nncc1-c1ccccc1Sugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 394.43 | Num_heavy_atoms: | 29 |
| TPSA: | 109.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD01201
Formula: C8H9ON
Smiles:
CNC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD08638
Formula: C9H9N3
Smiles:
Cn1nncc1-c1ccccc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 159.19 | Num_heavy_atoms: | 12 |
| TPSA: | 30.71 | NumAromaticRings: | 2 |
