Glycoside
GD048109
Name:
NoneFormula:
C11H15O7N3Smiles:
COc1cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)ncn1Aglycone:
COc1cc(N)ncn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 301.25 | Num_heavy_atoms: | 21 |
| TPSA: | 162.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD25811
Formula: C5H7ON3
Smiles:
COc1cc(N)ncn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 61.03 | NumAromaticRings: | 1 |
