Glycoside
GD152963
Name:
2-[5-(5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C33H44O22Smiles:
OCC1OC(Oc2cc(C3Oc4cc(O)cc(O)c4CC3OC3OC(CO)C(O)C(O)C3O)cc(OC3OC(CO)C(O)C(O)C3O)c2O)C(O)C(O)C1OAglycone:
Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 15 | FractionCSP3: | 0.64 |
| AlogP: | -5.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 792.69 | Num_heavy_atoms: | 55 |
| TPSA: | 368.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD47576
Formula: C15H14O7
Smiles:
Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.2 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 306.27 | Num_heavy_atoms: | 22 |
| TPSA: | 130.61 | NumAromaticRings: | 2 |
