Glycoside
GD029407
Name:
NoneFormula:
C19H19O6N6FSmiles:
O=C(Cn1cc(-c2cccc(F)c2)nn1)NC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CNC(=O)Cn1cc(-c2cccc(F)c2)nn1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.4 | Num_heavy_atoms: | 32 |
| TPSA: | 164.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD19133
Formula: C11H11ON4F
Smiles:
CNC(=O)Cn1cc(-c2cccc(F)c2)nn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 234.23 | Num_heavy_atoms: | 17 |
| TPSA: | 59.81 | NumAromaticRings: | 2 |
