Glycoside
GD036134
Name:
NoneFormula:
C17H24O5N6Smiles:
Cc1cn([C@@H]2O[C@H](CNc3cc(NC(C)C)ncn3)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
CNc1cc(NC(C)C)ncn1.Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 392.42 | Num_heavy_atoms: | 28 |
| TPSA: | 154.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD13899
Formula: C8H14N4
Smiles:
CNc1cc(NC(C)C)ncn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 166.23 | Num_heavy_atoms: | 12 |
| TPSA: | 49.84 | NumAromaticRings: | 1 |
