Glycoside
GD030968
Name:
NoneFormula:
C19H18O6N4Smiles:
O=C(NC[C@]1(O)CO[C@H](CN2C(=O)c3ccccc3C2=O)[C@H]1O)c1ccnnc1Aglycone:
CN1C(=O)c2ccccc2C1=O.CNC(=O)c1ccnnc1Sugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 398.38 | Num_heavy_atoms: | 29 |
| TPSA: | 141.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD04519
Formula: C9H7O2N
Smiles:
CN1C(=O)c2ccccc2C1=O| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 0 |
| MolWt: | 161.16 | Num_heavy_atoms: | 12 |
| TPSA: | 37.38 | NumAromaticRings: | 1 |
AD15875
Formula: C6H7ON3
Smiles:
CNC(=O)c1ccnnc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.14 | Num_heavy_atoms: | 10 |
| TPSA: | 54.88 | NumAromaticRings: | 1 |
