Glycoside
GD078473
Name:
NoneFormula:
C19H21O5N5Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCc5ccc(O)cc54)ncnc32)[C@H](O)[C@@H]1OAglycone:
Oc1ccc2c(c1)C(Nc1ncnc3c1N=C[N]3)CC2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 399.41 | Num_heavy_atoms: | 29 |
| TPSA: | 145.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD36040
Formula: C14H12ON5
Smiles:
Oc1ccc2c(c1)C(Nc1ncnc3c1N=C[N]3)CC2| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 266.28 | Num_heavy_atoms: | 20 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
