Glycoside
GD039823
Name:
n-[(3s,4r,5s,6r)-4,5-dihydroxy-6-({[(2s,3s,4s,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxy}methyl)tetrahydro-2h-pyran-3-yl]acetamide (non-preferred name)Formula:
C14H25O10NSmiles:
CC(=O)N[C@@H]1CO[C@@H](COC[C@@]2(O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OAglycone:
COCC1OCC(NC(C)=O)C(O)C1OSugarmoiety:
OCC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | -4.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 367.35 | Num_heavy_atoms: | 25 |
| TPSA: | 178.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD24548
Formula: C9H17O5N
Smiles:
COCC1OCC(NC(C)=O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 219.24 | Num_heavy_atoms: | 15 |
| TPSA: | 88.02 | NumAromaticRings: | 0 |
