Glycoside
GD020719
Name:
NoneFormula:
C18H26O4N8Smiles:
CCCCNc1cc(NC[C@@H]2O[C@H](N3C=NC4C(=O)NC=NC43)[C@H](O)[C@H]2O)ncn1Aglycone:
CCCCNc1cc(NC)ncn1.O=C1NC=NC2NC=NC12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 418.46 | Num_heavy_atoms: | 30 |
| TPSA: | 156.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD08279
Formula: C5H6ON4
Smiles:
O=C1NC=NC2NC=NC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 0 |
| MolWt: | 138.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.85 | NumAromaticRings: | 0 |
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 |
