Glycoside
GD137975
Name:
3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5a,10,11a,12-tetrahydro-5,11-dioxatetraphene-8,9,12-triolFormula:
C22H24O11Smiles:
OCC1OC(Oc2ccc3c(c2)OC2c4ccc(O)c(O)c4COC2C3O)C(O)C(O)C1OAglycone:
Oc1ccc2c(c1)OC1c3ccc(O)c(O)c3COC1C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 464.42 | Num_heavy_atoms: | 33 |
| TPSA: | 178.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD55712
Formula: C16H14O6
Smiles:
Oc1ccc2c(c1)OC1c3ccc(O)c(O)c3COC1C2O| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
