Glycoside
GD018341
Name:
NoneFormula:
C22H28O4N6Smiles:
CCC(CC)Nc1ncnc2c1ncn2C1O[C@H](C(=O)NCc2ccccc2)[C@H](O)[C@H]1OAglycone:
CCC(CC)Nc1ncnc2c1N=C[N]2.O=CNCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 440.5 | Num_heavy_atoms: | 32 |
| TPSA: | 134.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD02935
Formula: C10H14N5
Smiles:
CCC(CC)Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 204.26 | Num_heavy_atoms: | 15 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD03748
Formula: C8H9ON
Smiles:
O=CNCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
