Glycoside
GD031979
Name:
NoneFormula:
C16H22O5N6Smiles:
Cc1cn([C@@H]2O[C@H](CNc3cc(N(C)C)ncn3)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
CNc1cc(N(C)C)ncn1.Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 378.39 | Num_heavy_atoms: | 27 |
| TPSA: | 145.6 | 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 |
AD19351
Formula: C7H12N4
Smiles:
CNc1cc(N(C)C)ncn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.2 | Num_heavy_atoms: | 11 |
| TPSA: | 41.05 | NumAromaticRings: | 1 |
