Glycoside
GD120825
Name:
6-{[3,5-dihydroxy-6-(hydroxymethyl)-4-({3-methyl-8-oxo-1H,3H,4H,5H,6H,8H-pyrano[3,4-c]pyran-1-yl}oxy)oxan-2-yl]oxy}-5-ethenyl-4a-hydroxy-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-1-oneFormula:
C25H32O13Smiles:
C=CC1C(OC2OC(CO)C(O)C(OC3OC(C)CC4=C3C(=O)OCC4)C2O)OC=C2C(=O)OCCC21OAglycone:
C=CC1C(O)OC=C2C(=O)OCCC21O.CC1CC2=C(C(=O)OCC2)C(O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 540.52 | Num_heavy_atoms: | 38 |
| TPSA: | 179.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD13512
Formula: C10H12O5
Smiles:
C=CC1C(O)OC=C2C(=O)OCCC21O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
AD48582
Formula: C9H12O4
Smiles:
CC1CC2=C(C(=O)OCC2)C(O)O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
