Glycoside
GD137794
Name:
2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-(phenylamino)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C18H27O10NSmiles:
OCC1OC(OC2C(CO)OC(Nc3ccccc3)C(O)C2O)C(O)C(O)C1OAglycone:
Nc1ccccc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -3.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 417.41 | Num_heavy_atoms: | 29 |
| TPSA: | 181.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD11089
Formula: C6H7N
Smiles:
Nc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 93.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
