Glycoside
GD139019
Name:
2-({4,5-dihydroxy-2-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-6-methyloxane-3,4,5-triolFormula:
C21H32O12Smiles:
COc1ccc(CCOC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)cc1OAglycone:
COc1ccc(CCO)cc1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 476.48 | Num_heavy_atoms: | 33 |
| TPSA: | 187.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD01182
Formula: C9H12O3
Smiles:
COc1ccc(CCO)cc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
