Glycoside
GD085109
Name:
NoneFormula:
C17H26O7N3FSmiles:
CCCCCCCNC(=O)[C@H](O)[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@H]1OAglycone:
CCCCCCCNC(=O)CO.O=c1[nH]cc(F)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 403.41 | Num_heavy_atoms: | 28 |
| TPSA: | 153.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD01634
Formula: C4H3O2N2F
Smiles:
O=c1[nH]cc(F)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.08 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD37089
Formula: C9H19O2N
Smiles:
CCCCCCCNC(=O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 173.26 | Num_heavy_atoms: | 12 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
