Glycoside
GD125495
Name:
2-[3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]propoxy]-6-methyloxane-3,4,5-triolFormula:
C25H34O11Smiles:
COc1cc(C(O)C(COC2OC(C)C(O)C(O)C2O)Oc2ccc(CCCO)cc2O)ccc1OAglycone:
COc1cc(C(O)C(CO)Oc2ccc(CCCO)cc2O)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 11 |
| MolWt: | 510.54 | Num_heavy_atoms: | 36 |
| TPSA: | 178.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD18991
Formula: C19H24O7
Smiles:
COc1cc(C(O)C(CO)Oc2ccc(CCCO)cc2O)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 9 |
| MolWt: | 364.39 | Num_heavy_atoms: | 26 |
| TPSA: | 119.61 | NumAromaticRings: | 2 |
