Glycoside
GD131070
Name:
2-({2-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-4-yl}oxy)-6-methyloxane-3,4,5-triolFormula:
C21H32O12Smiles:
COC1C(CO)OC(OCCc2ccc(O)c(O)c2)C(O)C1OC1OC(C)C(O)C(O)C1OAglycone:
OCCc1ccc(O)c(O)c1Sugarmoiety:
COC1C(CO)OC(O)C(O)C1OC1OC(C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 476.48 | Num_heavy_atoms: | 33 |
| TPSA: | 187.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD00128
Formula: C8H10O3
Smiles:
OCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
