Glycoside
GD136270
Name:
PlicacetinFormula:
C25H35O7N5Smiles:
CC1OC(n2ccc(=NC(=O)c3ccc(N)cc3)nc2O)CCC1OC1OC(C)C(N(C)C)C(O)C1OAglycone:
CC1OC(n2ccc(=NC(=O)c3ccc(N)cc3)nc2O)CCC1OSugarmoiety:
CC1OC(O)C(O)C(O)C1N(C)COther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 517.58 | Num_heavy_atoms: | 37 |
| TPSA: | 164.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD50803
Formula: C17H20O4N4
Smiles:
CC1OC(n2ccc(=NC(=O)c3ccc(N)cc3)nc2O)CCC1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 344.37 | Num_heavy_atoms: | 25 |
| TPSA: | 122.96 | NumAromaticRings: | 2 |
