Glycoside
GD134289
Name:
4-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1,4-benzoxazin-3-oneFormula:
C14H17O8NSmiles:
O=C1C(C2OC(CO)C(O)C(O)C2O)Oc2ccccc2N1OAglycone:
O=C1COc2ccccc2N1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 327.29 | Num_heavy_atoms: | 23 |
| TPSA: | 139.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD54333
Formula: C8H7O3N
Smiles:
O=C1COc2ccccc2N1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 165.15 | Num_heavy_atoms: | 12 |
| TPSA: | 49.77 | NumAromaticRings: | 1 |
