Glycoside
GD130494
Name:
5-chloro-7-methoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-oneFormula:
C16H18O9NClSmiles:
COc1cc(Cl)c2c(c1)OC(OC1OC(CO)C(O)C(O)C1O)C(O)=N2Aglycone:
COc1cc(Cl)c2c(c1)OC(O)C(O)=N2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 391.76 | Num_heavy_atoms: | 26 |
| TPSA: | 150.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD52883
Formula: C10H8O4NCl
Smiles:
COc1cc(Cl)c2c(c1)OC(O)C(O)=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 229.62 | Num_heavy_atoms: | 15 |
| TPSA: | 71.28 | NumAromaticRings: | 1 |
