Glycoside
GD037074
Name:
NoneFormula:
C27H29O5N7Smiles:
Nc1cccc2c(C#C[C@H](CC[C@H](N)C(=O)O)C[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)cccc12Aglycone:
CC(C#Cc1cccc2c(N)cccc12)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.33 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 531.57 | Num_heavy_atoms: | 39 |
| TPSA: | 208.65 | NumAromaticRings: | 4 |
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 |
AD23379
Formula: C18H20O2N2
Smiles:
CC(C#Cc1cccc2c(N)cccc12)CCC(N)C(=O)O| HBA: | 4 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.37 | Num_heavy_atoms: | 22 |
| TPSA: | 89.34 | NumAromaticRings: | 2 |
