Glycoside
GD128856
Name:
6-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-1H-2-benzopyran-1-oneFormula:
C22H24O11Smiles:
COc1ccc(C2Cc3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3C(=O)O2)cc1OAglycone:
COc1ccc(C2Cc3cc(O)cc(O)c3C(=O)O2)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.42 | Num_heavy_atoms: | 33 |
| TPSA: | 175.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD52191
Formula: C16H14O6
Smiles:
COc1ccc(C2Cc3cc(O)cc(O)c3C(=O)O2)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
