Glycoside
GD005181
Name:
2-[(3,5-dihydroxy-2-{[4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yl]oxy}-6-(hydroxymethyl)oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C19H35O14NSmiles:
OCC[C@@H]1N[C@H](CO)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1OAglycone:
OCCC1NC(CO)C(O)C1OSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -6.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 501.48 | Num_heavy_atoms: | 34 |
| TPSA: | 251.25 | NumAromaticRings: | 0 |
Unique Aglycone
AD04426
Formula: C7H15O4N
Smiles:
OCCC1NC(CO)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 177.2 | Num_heavy_atoms: | 12 |
| TPSA: | 92.95 | NumAromaticRings: | 0 |
