Glycoside
GD128012
Name:
3-(4-hydroxy-3-methoxyphenyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-1H-2-benzopyran-1-oneFormula:
C22H24O10Smiles:
COc1cc(C2Cc3cccc(OC4OC(CO)C(O)C(O)C4O)c3C(=O)O2)ccc1OAglycone:
COc1cc(C2Cc3cccc(O)c3C(=O)O2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.42 | Num_heavy_atoms: | 32 |
| TPSA: | 155.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD51856
Formula: C16H14O5
Smiles:
COc1cc(C2Cc3cccc(O)c3C(=O)O2)ccc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
