Glycoside
GD142267
Name:
3,4a,8-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-2,5-dioneFormula:
C21H30O9Smiles:
CC1CC2OC(=O)C(C)C2C(OC2OC(CO)C(O)C(O)C2O)C2(C)C(=O)C=CC12Aglycone:
CC1CC2OC(=O)C(C)C2C(O)C2(C)C(=O)C=CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 426.46 | Num_heavy_atoms: | 30 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD57261
Formula: C15H20O4
Smiles:
CC1CC2OC(=O)C(C)C2C(O)C2(C)C(=O)C=CC12| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
