Glycoside
GD017978
Name:
NoneFormula:
C16H21O4N9Smiles:
CCn1nnc([C@@H]2O[C@H](n3cnc4c(NC5CCCO5)ncnc43)[C@H](O)[C@H]2O)n1Aglycone:
C1=Nc2c(ncnc2NC2CCCO2)[N]1.CCn1ncnn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 403.4 | Num_heavy_atoms: | 29 |
| TPSA: | 158.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD00166
Formula: C3H6N4
Smiles:
CCn1ncnn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 98.11 | Num_heavy_atoms: | 7 |
| TPSA: | 43.6 | NumAromaticRings: | 1 |
AD12765
Formula: C9H10ON5
Smiles:
C1=Nc2c(ncnc2NC2CCCO2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 204.21 | Num_heavy_atoms: | 15 |
| TPSA: | 73.5 | NumAromaticRings: | 1 |
