Glycoside
GD023319
Name:
NoneFormula:
C21H26O5N5FSmiles:
Nc1ccn([C@@H]2O[C@H](C(=O)N3CCCN(Cc4ccccc4F)CC3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
Nc1cc[nH]c(=O)n1.O=CN1CCCN(Cc2ccccc2F)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 447.47 | Num_heavy_atoms: | 32 |
| TPSA: | 134.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD15700
Formula: C13H17ON2F
Smiles:
O=CN1CCCN(Cc2ccccc2F)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 236.29 | Num_heavy_atoms: | 17 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
