Glycoside
GD031754
Name:
NoneFormula:
C15H21O7N3Smiles:
O=C(O)C1CCN(C[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)CC1Aglycone:
CN1CCC(C(=O)O)CC1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 355.35 | Num_heavy_atoms: | 25 |
| TPSA: | 145.09 | NumAromaticRings: | 1 |
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 |
AD20440
Formula: C7H13O2N
Smiles:
CN1CCC(C(=O)O)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 143.19 | Num_heavy_atoms: | 10 |
| TPSA: | 40.54 | NumAromaticRings: | 0 |
