Glycoside
GD012831
Name:
NoneFormula:
C18H26O5N6Smiles:
CCCCNc1cc(NC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)[C@H](O)[C@H]2O)ncn1Aglycone:
CCCCNc1cc(NC)ncn1.Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 406.44 | Num_heavy_atoms: | 29 |
| 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 |
AD09637
Formula: C9H16N4
Smiles:
CCCCNc1cc(NC)ncn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 180.25 | Num_heavy_atoms: | 13 |
| TPSA: | 49.84 | NumAromaticRings: | 1 |
