Glycoside
GD116415
Name:
4a,5-dihydroxy-7-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7a-yl acetateFormula:
C17H26O11Smiles:
CC(=O)OC12COC=CC1(O)C(O)CC2(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)OC12COC=CC1(O)C(O)CC2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | -3.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 406.38 | Num_heavy_atoms: | 28 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD46222
Formula: C11H16O6
Smiles:
CC(=O)OC12COC=CC1(O)C(O)CC2(C)O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 244.24 | Num_heavy_atoms: | 17 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
