Glycoside
GD125554
Name:
6-(hydroxymethyl)-4-{[4-(hydroxymethyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy}oxane-2,3,5-triolFormula:
C19H32O15Smiles:
OCC1OC(OC2C3COC2C(CO)C(OC2C(O)C(O)OC(CO)C2O)O3)C(O)C(O)C1OAglycone:
OCC1C(O)OC2COC1C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -6.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 500.45 | Num_heavy_atoms: | 34 |
| TPSA: | 237.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD50783
Formula: C7H12O5
Smiles:
OCC1C(O)OC2COC1C2O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
