Glycoside
GD091648
Name:
NoneFormula:
C21H26O5N6Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC[C@](C)(O)c4ccccc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CC(O)(CNc1ncnc2c1N=C[N]2)c1ccccc1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 442.48 | Num_heavy_atoms: | 32 |
| TPSA: | 154.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD37672
Formula: C14H14ON5
Smiles:
CC(O)(CNc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 268.3 | Num_heavy_atoms: | 20 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
