Glycoside
GD071407
Name:
NoneFormula:
C18H23O6N3Smiles:
O=C(C(=O)N1CCC(c2n[nH]c3ccccc23)CC1)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
c1ccc2c(C3CCNCC3)n[nH]c2c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 377.4 | Num_heavy_atoms: | 27 |
| TPSA: | 146.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD33578
Formula: C12H15N3
Smiles:
c1ccc2c(C3CCNCC3)n[nH]c2c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 201.27 | Num_heavy_atoms: | 15 |
| TPSA: | 40.71 | NumAromaticRings: | 2 |
