Glycoside
GD031832
Name:
NoneFormula:
C20H31O6N4ClSmiles:
N[C@H]1C[C@@H](N)[C@H](O[C@@H]2O[C@H](CNCc3ccccc3Cl)[C@H](O)[C@H](O)[C@H]2N)[C@@H](O)[C@H]1OAglycone:
CNCc1ccccc1Cl.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.68 |
| AlogP: | -2.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.93 | Num_heavy_atoms: | 30 |
| TPSA: | 189.47 | NumAromaticRings: | 1 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD12422
Formula: C9H10NCl
Smiles:
CNCc1ccccc1Cl| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 155.63 | Num_heavy_atoms: | 10 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
