Glycoside
GD072934
Name:
NoneFormula:
C18H23O6N3Smiles:
O=C(C(=O)N1CCN(c2ccc3[nH]ccc3c2)CC1)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
c1cc2cc(N3CCNCC3)ccc2[nH]1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 377.4 | Num_heavy_atoms: | 27 |
| TPSA: | 137.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD33918
Formula: C12H15N3
Smiles:
c1cc2cc(N3CCNCC3)ccc2[nH]1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 201.27 | Num_heavy_atoms: | 15 |
| TPSA: | 31.06 | NumAromaticRings: | 2 |
