Glycoside
GD130676
Name:
4a,5-dihydroxy-7-methyl-1-{[3,4,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl acetateFormula:
C17H26O12Smiles:
CC(=O)OC1(C)CC(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)(O)C3O)C12Aglycone:
CC(=O)OC1(C)CC(O)C2(O)C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -3.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 422.38 | Num_heavy_atoms: | 29 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD11842
Formula: C11H16O6
Smiles:
CC(=O)OC1(C)CC(O)C2(O)C=COC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 244.24 | Num_heavy_atoms: | 17 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
