Glycoside
GD134566
Name:
2-[(6-{[6-(benzyloxy)-2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-4,5-dihydroxyoxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C30H46O20Smiles:
OCC1OC(OC2C(CO)OC(OC3C(COC4OCC(O)(CO)C4O)OC(OCc4ccccc4)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
OCc1ccccc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(COC4OCC(O)(CO)C4O)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.8 |
| AlogP: | -6.88 | Num_rotatable_bonds: | 13 |
| MolWt: | 726.68 | Num_heavy_atoms: | 50 |
| TPSA: | 316.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
