Glycoside
GD029379
Name:
NoneFormula:
C23H41O10N9Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2NCCNC(=O)[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)[C@H](N)[C@H](O)[C@H]1OAglycone:
NC1CC(N)C(O)C(NCCNC=O)C1O.Nc1cc[nH]c(=O)n1Sugarmoiety:
NCC1OC(O)C(N)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 0.78 |
| AlogP: | -7.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 603.63 | Num_heavy_atoms: | 42 |
| TPSA: | 334.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD08021
Formula: C9H20O3N4
Smiles:
NC1CC(N)C(O)C(NCCNC=O)C1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | -3.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 232.28 | Num_heavy_atoms: | 16 |
| TPSA: | 133.63 | NumAromaticRings: | 0 |
