Glycoside
GD089199
Name:
NoneFormula:
C21H32O6N4Smiles:
Cc1ccc(NC(=O)NC[C@H]2O[C@@H](CC(=O)NCCN3CCOCC3)[C@H](O)[C@@H]2O)cc1Aglycone:
CC(=O)NCCN1CCOCC1.CNC(=O)Nc1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 436.51 | Num_heavy_atoms: | 31 |
| TPSA: | 132.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD30366
Formula: C8H16O2N2
Smiles:
CC(=O)NCCN1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 172.23 | Num_heavy_atoms: | 12 |
| TPSA: | 41.57 | NumAromaticRings: | 0 |
AD33094
Formula: C9H12ON2
Smiles:
CNC(=O)Nc1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.21 | Num_heavy_atoms: | 12 |
| TPSA: | 41.13 | NumAromaticRings: | 1 |
