Glycoside
GD022178
Name:
NoneFormula:
C20H22O6N6Smiles:
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COC(=O)C(Cc1ccccc1)NC=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 442.43 | Num_heavy_atoms: | 32 |
| TPSA: | 174.71 | 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 |
AD07451
Formula: C11H13O3N
Smiles:
COC(=O)C(Cc1ccccc1)NC=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 207.23 | Num_heavy_atoms: | 15 |
| TPSA: | 55.4 | NumAromaticRings: | 1 |
