Glycoside
GD004580
Name:
NoneFormula:
C18H21O6N5Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NCCc4ccc(O)c(O)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
Oc1ccc(CCNc2ncnc3c2N=C[N]3)cc1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 403.4 | Num_heavy_atoms: | 29 |
| TPSA: | 166.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD03979
Formula: C13H12O2N5
Smiles:
Oc1ccc(CCNc2ncnc3c2N=C[N]3)cc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 270.27 | Num_heavy_atoms: | 20 |
| TPSA: | 104.73 | NumAromaticRings: | 2 |
