Glycoside
GD025214
Name:
NoneFormula:
C18H23O5N3Smiles:
O=C(Nc1ccccc1)[C@H](O)[C@H](O)C(=O)N1CCC2(CCNC2=O)CC1Aglycone:
Nc1ccccc1.O=C1NCCC12CCNCC2Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 361.4 | Num_heavy_atoms: | 26 |
| TPSA: | 118.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD05175
Formula: C8H14ON2
Smiles:
O=C1NCCC12CCNCC2| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 154.21 | Num_heavy_atoms: | 11 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
AD11089
Formula: C6H7N
Smiles:
Nc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 93.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
