Glycoside
GD017303
Name:
9-hydroxy-4-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-2H-1-benzoxocin-2-oneFormula:
C23H24O10Smiles:
O=C1C=C(c2ccc(O)cc2)[C@H](OC2OC(CO)C(O)C(O)C2O)Cc2ccc(O)cc2O1Aglycone:
O=C1C=C(c2ccc(O)cc2)C(O)Cc2ccc(O)cc2O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.44 | Num_heavy_atoms: | 33 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD12361
Formula: C17H14O5
Smiles:
O=C1C=C(c2ccc(O)cc2)C(O)Cc2ccc(O)cc2O1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
