Glycoside
GD030450
Name:
NoneFormula:
C20H25O4N7SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N2CCCN(Cc3cccs3)CC2)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CN1CCCN(Cc2cccs2)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 459.53 | Num_heavy_atoms: | 32 |
| TPSA: | 142.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD19705
Formula: C11H16ON2S
Smiles:
O=CN1CCCN(Cc2cccs2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.33 | Num_heavy_atoms: | 15 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
