Glycoside
GD035598
Name:
NoneFormula:
C16H20O8N4Smiles:
COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCc3nnn[nH]3)[C@H]2O)cc1Aglycone:
COC(=O)c1ccc(O)cc1.OCc1nnn[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 396.36 | Num_heavy_atoms: | 28 |
| TPSA: | 169.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD07893
Formula: C2H4ON4
Smiles:
OCc1nnn[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.08 | Num_heavy_atoms: | 7 |
| TPSA: | 74.69 | NumAromaticRings: | 1 |
