Glycoside
GD127936
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-(3,4-dihydroxyphenyl)-6,8-dihydroxy-1,4-dihydronaphthalen-1-oneFormula:
C28H32O16Smiles:
O=C1C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)=C(c2ccc(O)c(O)c2)Cc2cc(O)cc(O)c21Aglycone:
O=C1C(O)=C(c2ccc(O)c(O)c2)Cc2cc(O)cc(O)c21Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.46 |
| AlogP: | -2.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 624.55 | Num_heavy_atoms: | 44 |
| TPSA: | 276.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD47722
Formula: C16H12O6
Smiles:
O=C1C(O)=C(c2ccc(O)c(O)c2)Cc2cc(O)cc(O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
