Glycoside
GD017834
Name:
NoneFormula:
C21H26O4N6Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N[C@H](C)Cc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(Cc1ccccc1)Nc1ncnc2c1N=C[N]2.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 426.48 | Num_heavy_atoms: | 31 |
| TPSA: | 134.42 | 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 |
AD01412
Formula: C14H14N5
Smiles:
CC(Cc1ccccc1)Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 252.3 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
