Glycoside
GD152085
Name:
2-{4-[3,6-dihydroxy-2,3-bis(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H34O12Smiles:
COc1cc2c(cc1O)CC(O)(CO)C(CO)C2c1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1Aglycone:
COc1cc(C2c3cc(OC)c(O)cc3CC(O)(CO)C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 538.55 | Num_heavy_atoms: | 38 |
| TPSA: | 198.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD60586
Formula: C20H24O7
Smiles:
COc1cc(C2c3cc(OC)c(O)cc3CC(O)(CO)C2CO)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.41 | Num_heavy_atoms: | 27 |
| TPSA: | 119.61 | NumAromaticRings: | 2 |
