Glycoside
GD012369
Name:
NoneFormula:
C23H26O5N8Smiles:
NC(=O)NCC[C@H](C#Cc1cccc(C(N)=O)c1)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(C#Cc1cccc(C(N)=O)c1)CCNC(N)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.35 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 494.51 | Num_heavy_atoms: | 36 |
| TPSA: | 217.52 | 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 |
AD09342
Formula: C14H17O2N3
Smiles:
CC(C#Cc1cccc(C(N)=O)c1)CCNC(N)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 259.31 | Num_heavy_atoms: | 19 |
| TPSA: | 98.21 | NumAromaticRings: | 1 |
