Glycoside
GD086360
Name:
NoneFormula:
C17H20O6N8Smiles:
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
COC(=O)C(Cc1cnc[nH]1)NC=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.4 | Num_heavy_atoms: | 31 |
| TPSA: | 203.39 | NumAromaticRings: | 3 |
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 |
AD38286
Formula: C8H11O3N3
Smiles:
COC(=O)C(Cc1cnc[nH]1)NC=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 197.19 | Num_heavy_atoms: | 14 |
| TPSA: | 84.08 | NumAromaticRings: | 1 |
