Glycoside
GD142262
Name:
2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-6-({[3-hydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C33H44O19Smiles:
CC1OC(OC2CC(O)C(OCC3OC(OC4Cc5c(O)cc(O)cc5OC4c4ccc(O)c(O)c4)C(O)C(O)C3O)OC2CO)C(O)C(O)C1OAglycone:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2Sugarmoiety:
CC1OC(OC2CC(O)C(OCC3OC(O)C(O)C(O)C3O)OC2CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.64 |
| AlogP: | -2.92 | Num_rotatable_bonds: | 9 |
| MolWt: | 744.7 | Num_heavy_atoms: | 52 |
| TPSA: | 307.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD04299
Formula: C15H14O6
Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.2 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
