Glycoside
GD127715
Name:
2-[(4,5-dihydroxy-2-{[2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H44O16Smiles:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2COC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 13 |
| MolWt: | 684.69 | Num_heavy_atoms: | 48 |
| TPSA: | 246.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD01856
Formula: C20H24O6
Smiles:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
