Glycoside
GD133358
Name:
3-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-2-phenyl-4H-chromen-4-oneFormula:
C33H40O18Smiles:
O=c1c(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c(-c2ccccc2)oc2ccccc12Aglycone:
O=c1c(O)c(-c2ccccc2)oc2ccccc12Sugarmoiety:
OCC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.55 |
| AlogP: | -3.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 724.67 | Num_heavy_atoms: | 51 |
| TPSA: | 287.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD17825
Formula: C15H10O3
Smiles:
O=c1c(O)c(-c2ccccc2)oc2ccccc12| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 238.24 | Num_heavy_atoms: | 18 |
| TPSA: | 50.44 | NumAromaticRings: | 3 |
