Glycoside
GD018976
Name:
NoneFormula:
C27H35O8N3FPSmiles:
C[C@H](NP(=O)(OC[C@@H]1O[C@H](c2ccnc(C(N)=O)c2F)[C@H](O)[C@H]1O)Oc1ccccc1)C(=O)CC1CCCCC1Aglycone:
COP(=O)(NC(C)C(=O)CC1CCCCC1)Oc1ccccc1.NC(=O)c1ncccc1FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 12 |
| MolWt: | 579.56 | Num_heavy_atoms: | 40 |
| TPSA: | 170.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD00450
Formula: C6H5ON2F
Smiles:
NC(=O)c1ncccc1F| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.12 | Num_heavy_atoms: | 10 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
AD13298
Formula: C17H26O4NP
Smiles:
COP(=O)(NC(C)C(=O)CC1CCCCC1)Oc1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.59 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 339.37 | Num_heavy_atoms: | 23 |
| TPSA: | 64.63 | NumAromaticRings: | 1 |
