Glycoside
GD146017
Name:
4-[bis(4-hydroxy-3-methoxyphenyl)methyl]-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-oneFormula:
C26H32O12Smiles:
COc1cc(C(c2ccc(O)c(OC)c2)C2COC(=O)C2COC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C(c2ccc(O)c(OC)c2)C2COC(=O)C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 536.53 | Num_heavy_atoms: | 38 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD49714
Formula: C20H22O7
Smiles:
COc1cc(C(c2ccc(O)c(OC)c2)C2COC(=O)C2CO)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 374.39 | Num_heavy_atoms: | 27 |
| TPSA: | 105.45 | NumAromaticRings: | 2 |
