Glycoside
GD132974
Name:
NoneFormula:
C21H31O5N3Smiles:
Cc1ccc(NC(O)=NCC2OC(CC(=O)N3CCC(C)CC3)C(O)C2O)cc1Aglycone:
CC(=O)N1CCC(C)CC1.CN=C(O)Nc1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 405.5 | Num_heavy_atoms: | 29 |
| TPSA: | 114.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD22961
Formula: C8H15ON
Smiles:
CC(=O)N1CCC(C)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 0 |
| MolWt: | 141.21 | Num_heavy_atoms: | 10 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
AD46565
Formula: C9H12ON2
Smiles:
CN=C(O)Nc1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.21 | Num_heavy_atoms: | 12 |
| TPSA: | 44.62 | NumAromaticRings: | 1 |
