Glycoside
GD029007
Name:
NoneFormula:
C19H22O5N4Smiles:
OC[C@@H]1O[C@H](n2cnc3c(OCCCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2OCCCc2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 386.41 | Num_heavy_atoms: | 28 |
| TPSA: | 122.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD18906
Formula: C14H13ON4
Smiles:
C1=Nc2c(ncnc2OCCCc2ccccc2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.21 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 253.28 | Num_heavy_atoms: | 19 |
| TPSA: | 61.47 | NumAromaticRings: | 2 |
