Glycoside
GD135529
Name:
2-({5,7-dihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl}methyl)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C16H26O8Smiles:
CC1(O)CC(O)C2C=COC(CC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1OC=CC2C(O)CC(C)(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.38 | Num_heavy_atoms: | 24 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD54799
Formula: C10H16O3
Smiles:
CC1OC=CC2C(O)CC(C)(O)C12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 0 |
| MolWt: | 184.23 | Num_heavy_atoms: | 13 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
