Glycoside
GD120991
Name:
2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-6-acetamido-4-hydroxy-5-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acidFormula:
C23H39O19NSmiles:
CC(O)=NC1OC(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)(C(=O)O)CC(O)C1C(O)C(O)COAglycone:
CC(O)=NC1OC(O)(C(=O)O)CC(O)C1C(O)C(O)COSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.91 |
| AlogP: | -7.18 | Num_rotatable_bonds: | 11 |
| MolWt: | 633.55 | Num_heavy_atoms: | 43 |
| TPSA: | 338.57 | NumAromaticRings: | 0 |
Unique Aglycone
AD48658
Formula: C11H19O9N
Smiles:
CC(O)=NC1OC(O)(C(=O)O)CC(O)C1C(O)C(O)CO| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -2.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 309.27 | Num_heavy_atoms: | 21 |
| TPSA: | 180.27 | NumAromaticRings: | 0 |
