Glycoside
GD021488
Name:
NoneFormula:
C21H25O6N5Smiles:
O=c1nc(NCCCCc2ccccc2)[nH]c(=O)c2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=c1nc(NCCCCc2ccccc2)[nH]c(=O)c2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 443.46 | Num_heavy_atoms: | 32 |
| TPSA: | 162.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD14691
Formula: C16H16O2N5
Smiles:
O=c1nc(NCCCCc2ccccc2)[nH]c(=O)c2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 310.34 | Num_heavy_atoms: | 23 |
| TPSA: | 101.31 | NumAromaticRings: | 2 |
