Glycoside
GD030341
Name:
NoneFormula:
C21H25O4N7Smiles:
Nc1nc(NCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@H](O)[C@H]1OAglycone:
Nc1nc(NCCc2ccccc2)nc2c1N=C[N]2.O=CNC1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 439.48 | Num_heavy_atoms: | 32 |
| TPSA: | 160.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD00527
Formula: C4H7ON
Smiles:
O=CNC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 85.11 | Num_heavy_atoms: | 6 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD01695
Formula: C13H13N6
Smiles:
Nc1nc(NCCc2ccccc2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 253.29 | Num_heavy_atoms: | 19 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
