Glycoside
GD023634
Name:
NoneFormula:
C24H24O5N4Smiles:
O=C(NC[C@@H]1OC[C@](O)(CNC(=O)c2ccc(-c3ccccc3)cc2)[C@H]1O)c1ccnnc1Aglycone:
CNC(=O)c1ccc(-c2ccccc2)cc1.CNC(=O)c1ccnnc1Sugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 448.48 | Num_heavy_atoms: | 33 |
| TPSA: | 133.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD14552
Formula: C14H13ON
Smiles:
CNC(=O)c1ccc(-c2ccccc2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 211.26 | Num_heavy_atoms: | 16 |
| TPSA: | 29.1 | NumAromaticRings: | 2 |
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 |
