Glycoside
GD000989
Name:
NoneFormula:
C21H25O5N5Smiles:
OC[C@@H]1OC(n2cnc3c(NCC4(O)CCCc5ccccc54)ncnc32)[C@H](O)[C@H]1OAglycone:
OC1(CNc2ncnc3c2N=C[N]3)CCCc2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 427.46 | Num_heavy_atoms: | 31 |
| TPSA: | 145.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD01028
Formula: C16H16ON5
Smiles:
OC1(CNc2ncnc3c2N=C[N]3)CCCc2ccccc21| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 294.34 | Num_heavy_atoms: | 22 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
