Glycoside
GD014720
Name:
NoneFormula:
C32H54O4N8Smiles:
CCCCCCCCCCCCCCCCCCNc1cc(NC[C@@H]2O[C@H](N3C=NC4C(=O)NC=NC43)[C@H](O)[C@H]2O)ncn1Aglycone:
CCCCCCCCCCCCCCCCCCNc1cc(NC)ncn1.O=C1NC=NC2NC=NC12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | 4.21 | Num_rotatable_bonds: | 22 |
| MolWt: | 614.84 | Num_heavy_atoms: | 44 |
| 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 |
AD10791
Formula: C23H44N4
Smiles:
CCCCCCCCCCCCCCCCCCNc1cc(NC)ncn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 7.19 | Num_rotatable_bonds: | 19 |
| MolWt: | 376.63 | Num_heavy_atoms: | 27 |
| TPSA: | 49.84 | NumAromaticRings: | 1 |
