Glycoside
GD134406
Name:
2-[(2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H28O13Smiles:
OCC1OC(Oc2cc(O)c(OC3OC(CO)C(O)C(O)C3O)c3ccccc23)C(O)C(O)C1OAglycone:
Oc1cc(O)c2ccccc2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -3.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.45 | Num_heavy_atoms: | 35 |
| TPSA: | 218.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD46738
Formula: C10H8O3
Smiles:
Oc1cc(O)c2ccccc2c1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 176.17 | Num_heavy_atoms: | 13 |
| TPSA: | 60.69 | NumAromaticRings: | 2 |
