Glycoside
GD143001
Name:
2-[(8-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H28O13Smiles:
OCC1OC(Oc2ccc(O)c3c(OC4OC(CO)C(O)C(O)C4O)cccc23)C(O)C(O)C1OAglycone:
Oc1ccc(O)c2c(O)cccc12Sugarmoiety:
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
AD09199
Formula: C10H8O3
Smiles:
Oc1ccc(O)c2c(O)cccc12| 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 |
