Glycoside
GD006431
Name:
NoneFormula:
C25H27O8N7Smiles:
NC(=O)c1cc(C#C[C@H](CC[C@H](N)C(=O)O)C[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)c2c(c1)OCO2Aglycone:
CC(C#Cc1cc(C(N)=O)cc2c1OCO2)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.4 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 553.53 | Num_heavy_atoms: | 40 |
| TPSA: | 244.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD05326
Formula: C16H18O5N2
Smiles:
CC(C#Cc1cc(C(N)=O)cc2c1OCO2)CCC(N)C(=O)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 318.33 | Num_heavy_atoms: | 23 |
| TPSA: | 124.87 | NumAromaticRings: | 1 |
