Glycoside
GD010559
Name:
NoneFormula:
C26H50O15N6Smiles:
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@H](O[C@@H]2O[C@H](CNC(=O)[C@H](O)CCN)[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)C(O)CCN.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: | 21 | RingCount: | 3 |
| HBD: | 19 | FractionCSP3: | 0.92 |
| AlogP: | -9.56 | Num_rotatable_bonds: | 14 |
| MolWt: | 686.71 | Num_heavy_atoms: | 47 |
| TPSA: | 381.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD00556
Formula: C5H12O2N2
Smiles:
CNC(=O)C(O)CCN| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 75.35 | NumAromaticRings: | 0 |
AD02366
Formula: C10H21O5N3
Smiles:
NCCC(O)C(=O)NC1CC(N)C(O)C(O)C1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -4.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 263.29 | Num_heavy_atoms: | 18 |
| TPSA: | 162.06 | NumAromaticRings: | 0 |
