Glycoside
GD022184
Name:
NoneFormula:
C19H21O6N5Smiles:
O=c1nc(NCCc2ccccc2)[nH]c(=O)c2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=c1nc(NCCc2ccccc2)[nH]c(=O)c2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 415.41 | Num_heavy_atoms: | 30 |
| TPSA: | 162.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD15074
Formula: C14H12O2N5
Smiles:
O=c1nc(NCCc2ccccc2)[nH]c(=O)c2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 282.28 | Num_heavy_atoms: | 21 |
| TPSA: | 101.31 | NumAromaticRings: | 2 |
