Glycoside
GD033617
Name:
NoneFormula:
C25H31O8N4FSmiles:
CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)N[C@@H]2C(O)O[C@H](CO)[C@H](O)[C@H]2O)cn3C2CC2)CC1Aglycone:
CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(N)=O)cn3C2CC2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 534.54 | Num_heavy_atoms: | 38 |
| TPSA: | 164.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD21444
Formula: C19H21O3N4F
Smiles:
CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(N)=O)cn3C2CC2)CC1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 372.4 | Num_heavy_atoms: | 27 |
| TPSA: | 88.64 | NumAromaticRings: | 2 |
