Glycoside
GD145044
Name:
2-(3,5-dihydroxy-4-methoxyphenyl)-3,7-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C22H24O13Smiles:
COc1c(O)cc(C2Oc3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3C(=O)C2O)cc1OAglycone:
COc1c(O)cc(C2Oc3cc(O)cc(O)c3C(=O)C2O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.41 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 496.42 | Num_heavy_atoms: | 35 |
| TPSA: | 215.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD19412
Formula: C16H14O8
Smiles:
COc1c(O)cc(C2Oc3cc(O)cc(O)c3C(=O)C2O)cc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.19 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 334.28 | Num_heavy_atoms: | 24 |
| TPSA: | 136.68 | NumAromaticRings: | 2 |
