Glycoside
GD010783
Name:
NoneFormula:
C26H49O15N7Smiles:
NCC(=O)NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@H](O[C@@H]2O[C@H](CNC(=O)CN)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](N)[C@H]1OAglycone:
CNC(=O)CN.NCC(=O)NCCC(O)C(=O)NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 19 | FractionCSP3: | 0.88 |
| AlogP: | -10.19 | Num_rotatable_bonds: | 14 |
| MolWt: | 699.71 | Num_heavy_atoms: | 48 |
| TPSA: | 390.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD08282
Formula: C3H8ON2
Smiles:
CNC(=O)CN| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
AD08283
Formula: C12H24O6N4
Smiles:
NCC(=O)NCCC(O)C(=O)NC1CC(N)C(O)C(O)C1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 10 | FractionCSP3: | 0.83 |
| AlogP: | -4.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 320.35 | Num_heavy_atoms: | 22 |
| TPSA: | 191.16 | NumAromaticRings: | 0 |
