Glycoside
GD031142
Name:
NoneFormula:
C26H42O5N6Smiles:
CCCCCCCCCCCCNc1cc(NC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)[C@H](O)[C@H]2O)ncn1Aglycone:
CCCCCCCCCCCCNc1cc(NC)ncn1.Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 16 |
| MolWt: | 518.66 | Num_heavy_atoms: | 37 |
| 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 |
AD08278
Formula: C17H32N4
Smiles:
CCCCCCCCCCCCNc1cc(NC)ncn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 4.85 | Num_rotatable_bonds: | 13 |
| MolWt: | 292.47 | Num_heavy_atoms: | 21 |
| TPSA: | 49.84 | NumAromaticRings: | 1 |
