Glycoside
GD032048
Name:
NoneFormula:
C26H29O6N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@H](C#Cc2ccc3c(c2)C(=O)NCC3)CC[C@H](N)C(=O)O)[C@H](O)[C@H]1OAglycone:
CC(C#Cc1ccc2c(c1)C(=O)NCC2)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 535.56 | Num_heavy_atoms: | 39 |
| TPSA: | 211.73 | 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 |
AD20586
Formula: C17H20O3N2
Smiles:
CC(C#Cc1ccc2c(c1)C(=O)NCC2)CCC(N)C(=O)O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 300.36 | Num_heavy_atoms: | 22 |
| TPSA: | 92.42 | NumAromaticRings: | 1 |
