Glycoside
GD153979
Name:
9-hydroxy-3,5a,9-trimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,4H,5H,5aH,6H,9H,9aH,9bH-naphtho[1,2-b]furan-2-oneFormula:
C21H30O9Smiles:
CC1=C2CCC3(C)C(OC4OC(CO)C(O)C(O)C4O)C=CC(C)(O)C3C2OC1=OAglycone:
CC1=C2CCC3(C)C(O)C=CC(C)(O)C3C2OC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 426.46 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD61197
Formula: C15H20O4
Smiles:
CC1=C2CCC3(C)C(O)C=CC(C)(O)C3C2OC1=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
