Glycoside
GD003166
Name:
NoneFormula:
C18H16O5N4Smiles:
OC[C@@H]1OC(n2cnc3c(-c4cc5ccccc5o4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2-c2cc3ccccc3o2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 368.35 | Num_heavy_atoms: | 27 |
| TPSA: | 126.66 | NumAromaticRings: | 4 |
Unique Aglycone
AD02900
Formula: C13H7ON4
Smiles:
C1=Nc2c(ncnc2-c2cc3ccccc3o2)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 235.23 | Num_heavy_atoms: | 18 |
| TPSA: | 65.38 | NumAromaticRings: | 3 |
