Glycoside
GD119695
Name:
NoneFormula:
C22H30O6N12Smiles:
CN(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)N(C)CC1OC(n2cnc3c(N)ncnc32)C(O)C1OAglycone:
CN(C)N(C)C.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -3.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.56 | Num_heavy_atoms: | 40 |
| TPSA: | 245.1 | NumAromaticRings: | 4 |
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 |
AD48004
Formula: C4H12N2
Smiles:
CN(C)N(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.15 | Num_heavy_atoms: | 6 |
| TPSA: | 6.48 | NumAromaticRings: | 0 |
