Glycoside
GD145122
Name:
2-({6-hydroxy-4-[hydroxy(methoxy)methyl]-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C17H28O10Smiles:
COC(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2CAglycone:
COC(O)C1=COC(O)C2C1CC(O)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 392.4 | Num_heavy_atoms: | 27 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD58270
Formula: C11H18O5
Smiles:
COC(O)C1=COC(O)C2C1CC(O)C2C| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 230.26 | Num_heavy_atoms: | 16 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
