Glycoside
GD086426
Name:
NoneFormula:
C21H31O7N3Smiles:
COCC(=O)NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccccc3OC)CC2)[C@H](O)[C@@H]1OAglycone:
CNC(=O)COC.COc1ccccc1N1CCN(C(C)=O)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 437.49 | Num_heavy_atoms: | 31 |
| TPSA: | 120.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD22014
Formula: C13H18O2N2
Smiles:
COc1ccccc1N1CCN(C(C)=O)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.3 | Num_heavy_atoms: | 17 |
| TPSA: | 32.78 | NumAromaticRings: | 1 |
AD27258
Formula: C4H9O2N
Smiles:
CNC(=O)COC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 103.12 | Num_heavy_atoms: | 7 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
