Glycoside
GD142576
Name:
6,7-dihydroxy-3-methoxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,5H,6H,7H,7aH-cyclopenta[c]pyran-4-yl acetateFormula:
C18H28O12Smiles:
COC1OC(OC2OC(CO)C(O)C(O)C2O)C2C(=C1OC(C)=O)CC(O)C2(C)OAglycone:
COC1OC(O)C2C(=C1OC(C)=O)CC(O)C2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -2.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.41 | Num_heavy_atoms: | 30 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD57373
Formula: C12H18O7
Smiles:
COC1OC(O)C2C(=C1OC(C)=O)CC(O)C2(C)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 274.27 | Num_heavy_atoms: | 19 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
