Glycoside
GD142812
Name:
2-{[2-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-10-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C27H42O20Smiles:
OCC1OC(OCC2OC(OC3OC=CC4C(OC5OC(CO)C(O)C(O)C5O)C5OC5(CO)C34)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OCC12OC1C(O)C1C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.93 |
| AlogP: | -7.94 | Num_rotatable_bonds: | 10 |
| MolWt: | 686.61 | Num_heavy_atoms: | 47 |
| TPSA: | 319.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD04913
Formula: C9H12O5
Smiles:
OCC12OC1C(O)C1C=COC(O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.19 | Num_heavy_atoms: | 14 |
| TPSA: | 82.45 | NumAromaticRings: | 0 |
