Glycoside
GD115909
Name:
1-(3,4-dihydroxyphenyl)-3-[2-(3,4-dihydroxyphenyl)-3-hydroxyoxiran-2-yl]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-1-oneFormula:
C23H26O13Smiles:
O=C(c1ccc(O)c(O)c1)C(CC1(c2ccc(O)c(O)c2)OC1O)OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(c1ccc(O)c(O)c1)C(O)CC1(c2ccc(O)c(O)c2)OC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.43 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 510.45 | Num_heavy_atoms: | 36 |
| TPSA: | 230.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD45932
Formula: C17H16O8
Smiles:
O=C(c1ccc(O)c(O)c1)C(O)CC1(c2ccc(O)c(O)c2)OC1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 348.31 | Num_heavy_atoms: | 25 |
| TPSA: | 150.98 | NumAromaticRings: | 2 |
