Glycoside
GD078960
Name:
NoneFormula:
C20H29O5N3Smiles:
O=C(C[C@@H]1O[C@H](CNC(=O)NC2CCCCC2)[C@@H](O)[C@H]1O)Nc1ccccc1Aglycone:
CC(=O)Nc1ccccc1.CNC(=O)NC1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 391.47 | Num_heavy_atoms: | 28 |
| TPSA: | 119.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD19580
Formula: C8H9ON
Smiles:
CC(=O)Nc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD23111
Formula: C8H16ON2
Smiles:
CNC(=O)NC1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.23 | Num_heavy_atoms: | 11 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
