Glycoside
GD000021
Name:
NoneFormula:
C18H20O8N3PSmiles:
Nc1nc(=O)n([C@@H]2O[C@H]([C@H](O)CP(=O)(O)O)[C@H](O)[C@H]2O)cc1C#Cc1ccccc1Aglycone:
Nc1nc(=O)[nH]cc1C#Cc1ccccc1.O=P(O)(O)CCOSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 437.35 | Num_heavy_atoms: | 30 |
| TPSA: | 188.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD00028
Formula: C12H9ON3
Smiles:
Nc1nc(=O)[nH]cc1C#Cc1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 0 |
| MolWt: | 211.22 | Num_heavy_atoms: | 16 |
| TPSA: | 71.77 | NumAromaticRings: | 2 |
AD00029
Formula: C2H7O4P
Smiles:
O=P(O)(O)CCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.05 | Num_heavy_atoms: | 7 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
