Glycoside
GD153303
Name:
7-chloro-4-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-oneFormula:
C15H16O9NClSmiles:
O=C1C(OC2OC(CO)C(O)C(O)C2O)Oc2cc(Cl)ccc2N1OAglycone:
O=C1C(O)Oc2cc(Cl)ccc2N1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 377.73 | Num_heavy_atoms: | 25 |
| TPSA: | 149.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD60984
Formula: C9H6O4NCl
Smiles:
O=C1C(O)Oc2cc(Cl)ccc2N1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 0 |
| MolWt: | 215.59 | Num_heavy_atoms: | 14 |
| TPSA: | 70.0 | NumAromaticRings: | 1 |
