Glycoside
GD033078
Name:
NoneFormula:
C24H31O8N4FSmiles:
CCn1cc(C(=O)N[C@@H]2C(O)O[C@H](CO)[C@H](O)[C@H]2O)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21Aglycone:
CCn1cc(C(N)=O)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 522.53 | Num_heavy_atoms: | 37 |
| TPSA: | 164.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD21140
Formula: C18H21O3N4F
Smiles:
CCn1cc(C(N)=O)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 360.39 | Num_heavy_atoms: | 26 |
| TPSA: | 88.64 | NumAromaticRings: | 2 |
