Glycoside
GD009581
Name:
NoneFormula:
C27H46O11N4Smiles:
N[C@H]1C[C@@H](N)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2N)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2OCCNCCc2ccccc2)[C@H]1OAglycone:
NC1CC(N)C(O)C(O)C1O.OCCNCCc1ccccc1Sugarmoiety:
NC1C(O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.78 |
| AlogP: | -4.76 | Num_rotatable_bonds: | 13 |
| MolWt: | 602.68 | Num_heavy_atoms: | 42 |
| TPSA: | 257.62 | 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 |
AD07499
Formula: C10H15ON
Smiles:
OCCNCCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 165.24 | Num_heavy_atoms: | 12 |
| TPSA: | 32.26 | NumAromaticRings: | 1 |
