Glycoside
GD142509
Name:
2-({6-[(4,6-dihydroxyphenanthren-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H30O13Smiles:
OCC1OC(OC2C(CO)OC(Oc3ccc4ccc5ccc(O)cc5c4c3O)C(O)C2O)C(O)C(O)C1OAglycone:
Oc1ccc2ccc3ccc(O)c(O)c3c2c1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 550.51 | Num_heavy_atoms: | 39 |
| TPSA: | 218.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD51869
Formula: C14H10O3
Smiles:
Oc1ccc2ccc3ccc(O)c(O)c3c2c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 226.23 | Num_heavy_atoms: | 17 |
| TPSA: | 60.69 | NumAromaticRings: | 3 |
