Glycoside
GD077476
Name:
NoneFormula:
C21H30O5N2Smiles:
CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@@H](O)[C@H]1OAglycone:
CC(=O)N(C)Cc1ccccc1.CNC(=O)C1CCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 390.48 | Num_heavy_atoms: | 28 |
| TPSA: | 99.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD19490
Formula: C10H13ON
Smiles:
CC(=O)N(C)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 163.22 | Num_heavy_atoms: | 12 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
AD29399
Formula: C7H13ON
Smiles:
CNC(=O)C1CCCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 127.19 | Num_heavy_atoms: | 9 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
