Glycoside
GD000096
Name:
NoneFormula:
C14H15O4N5Smiles:
OC[C@@H]1OC(n2cnc3c(-c4cc[nH]c4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2-c2cc[nH]c2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 317.31 | Num_heavy_atoms: | 23 |
| TPSA: | 129.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD00123
Formula: C9H6N5
Smiles:
C1=Nc2c(ncnc2-c2cc[nH]c2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.18 | Num_heavy_atoms: | 14 |
| TPSA: | 68.03 | NumAromaticRings: | 2 |
