Glycoside
GD121190
Name:
NoneFormula:
C21H30O6N2Smiles:
COc1ccc(C(=O)NCC2OC(CC(=O)N3CCC(C)CC3)C(O)C2O)cc1Aglycone:
CC(=O)N1CCC(C)CC1.CNC(=O)c1ccc(OC)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 406.48 | Num_heavy_atoms: | 29 |
| TPSA: | 108.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD05627
Formula: C9H11O2N
Smiles:
CNC(=O)c1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.19 | Num_heavy_atoms: | 12 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
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 |
