Glycoside
GD006464
Name:
NoneFormula:
C17H21O5N5Smiles:
OC[C@@H]1O[C@H](n2cnc3c(N[C@@H]4CC5CC4C4OC54)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CC3CC2C2OC32)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 375.39 | Num_heavy_atoms: | 27 |
| TPSA: | 138.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD04222
Formula: C12H12ON5
Smiles:
C1=Nc2c(ncnc2NC2CC3CC2C2OC32)[N]1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.26 | Num_heavy_atoms: | 18 |
| TPSA: | 76.8 | NumAromaticRings: | 1 |
