Glycoside
GD121437
Name:
2-(2-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-hydroxy-5-(3-hydroxypropyl)phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C25H34O13Smiles:
COc1cc(C(O)C(CO)Oc2c(O)cc(CCCO)cc2OC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C(O)C(CO)Oc2c(O)cc(CCCO)cc2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 12 |
| MolWt: | 542.53 | Num_heavy_atoms: | 38 |
| TPSA: | 218.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD48882
Formula: C19H24O8
Smiles:
COc1cc(C(O)C(CO)Oc2c(O)cc(CCCO)cc2O)ccc1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 380.39 | Num_heavy_atoms: | 27 |
| TPSA: | 139.84 | NumAromaticRings: | 2 |
