Glycoside
GD048306
Name:
NoneFormula:
C13H19O6N3Smiles:
Cn1cc2c(n1)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2Aglycone:
Cn1cc2c(n1)CCNC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -3.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 313.31 | Num_heavy_atoms: | 22 |
| TPSA: | 136.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD25865
Formula: C7H11N3
Smiles:
Cn1cc2c(n1)CCNC2| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 137.19 | Num_heavy_atoms: | 10 |
| TPSA: | 29.85 | NumAromaticRings: | 1 |
