Glycoside
GD019200
Name:
NoneFormula:
C30H41O6N7Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](OCc3ccccn3)[C@H]2O)[C@H](N)[C@H](OCc2ccccn2)[C@H]1OCc1ccccn1Aglycone:
NC1CC(N)C(OCc2ccccn2)C(O)C1O.OCc1ccccn1.OCc1ccccn1Sugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 12 |
| MolWt: | 595.7 | Num_heavy_atoms: | 43 |
| TPSA: | 209.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD12844
Formula: C6H7ON
Smiles:
OCc1ccccn1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 109.13 | Num_heavy_atoms: | 8 |
| TPSA: | 33.12 | NumAromaticRings: | 1 |
AD13438
Formula: C12H19O3N3
Smiles:
NC1CC(N)C(OCc2ccccn2)C(O)C1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 253.3 | Num_heavy_atoms: | 18 |
| TPSA: | 114.62 | NumAromaticRings: | 1 |
