Glycoside
GD034800
Name:
NoneFormula:
C12H18O4N6Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c2=NCNC=3N)[C@H](O)[C@H]1OAglycone:
CCNC=O.NC1=C2N=C[N]C2=NCN1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -4.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 310.31 | Num_heavy_atoms: | 22 |
| TPSA: | 147.02 | NumAromaticRings: | 1 |
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 |
AD22081
Formula: C5H6N5
Smiles:
NC1=C2N=C[N]C2=NCN1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 136.14 | Num_heavy_atoms: | 10 |
| TPSA: | 76.87 | NumAromaticRings: | 0 |
