Glycoside
GD081571
Name:
NoneFormula:
C19H23O7N3Smiles:
O=C(C(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
O=C(c1c[nH]c2ccccc12)N1CCNCC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 405.41 | Num_heavy_atoms: | 29 |
| TPSA: | 154.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD36710
Formula: C13H15ON3
Smiles:
O=C(c1c[nH]c2ccccc12)N1CCNCC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 229.28 | Num_heavy_atoms: | 17 |
| TPSA: | 48.13 | NumAromaticRings: | 2 |
