Glycoside
GD123623
Name:
2-({6-[(6-{[4,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H48O22Smiles:
COc1cc(C2Oc3cc(O)cc(OC)c3C(O)C2OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)ccc1OAglycone:
COc1cc(C2Oc3cc(O)cc(OC)c3C(O)C2O)ccc1OSugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.66 |
| AlogP: | -4.88 | Num_rotatable_bonds: | 12 |
| MolWt: | 820.75 | Num_heavy_atoms: | 57 |
| TPSA: | 346.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD49905
Formula: C17H18O7
Smiles:
COc1cc(C2Oc3cc(O)cc(OC)c3C(O)C2O)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 334.32 | Num_heavy_atoms: | 24 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
