Glycoside
GD033350
Name:
NoneFormula:
C19H26O7N8Smiles:
O=NN(CCNC(=O)[C@@H]1OC(n2cnc3c(O)ncnc32)[C@H](O)[C@H]1O)C(=O)NC1CCCCC1Aglycone:
O=CNCCN(N=O)C(=O)NC1CCCCC1.Oc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 478.47 | Num_heavy_atoms: | 34 |
| TPSA: | 204.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD00956
Formula: C5H3ON4
Smiles:
Oc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
AD11423
Formula: C10H18O3N4
Smiles:
O=CNCCN(N=O)C(=O)NC1CCCCC1| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 242.28 | Num_heavy_atoms: | 17 |
| TPSA: | 90.87 | NumAromaticRings: | 0 |
