Glycoside
GD124305
Name:
2-(hydroxymethyl)-6-{[7-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl]oxy}oxane-3,4,5-triolFormula:
C21H32O13Smiles:
OCC1OC(OCC2=CCC3C=COC(OC4OC(CO)C(O)C(O)C4O)C23)C(O)C(O)C1OAglycone:
OCC1=CCC2C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.81 |
| AlogP: | -3.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.47 | Num_heavy_atoms: | 34 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD20912
Formula: C9H12O3
Smiles:
OCC1=CCC2C=COC(O)C12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
