Glycoside
GD079141
Name:
NoneFormula:
C17H19O7N5Smiles:
NC(=O)CNc1cnn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@H]2O)c(=O)n1Aglycone:
COC(=O)c1ccccc1.NC(=O)CNc1cn[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 405.37 | Num_heavy_atoms: | 29 |
| TPSA: | 178.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD25410
Formula: C5H7O2N5
Smiles:
NC(=O)CNc1cn[nH]c(=O)n1| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 169.14 | Num_heavy_atoms: | 12 |
| TPSA: | 113.76 | NumAromaticRings: | 1 |
