Glycoside
GD132412
Name:
4-hydroxy-6-methyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1H,3H,4H,5H,6H,8H-pyrano[3,4-c]pyran-1-oneFormula:
C16H24O10Smiles:
CC1OCC2=C(C(O)COC2=O)C1COC1OC(CO)C(O)C(O)C1OAglycone:
CC1OCC2=C(C(O)COC2=O)C1COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | -2.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 376.36 | Num_heavy_atoms: | 26 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD53612
Formula: C10H14O5
Smiles:
CC1OCC2=C(C(O)COC2=O)C1CO| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
