Glycoside
GD123776
Name:
5-hydroxy-2-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,4H,4aH,5H,5aH,6H,9H,9aH,10H,10aH-naphtho[2,3-b]pyran-4-oneFormula:
C20H30O9Smiles:
CC1CC(=O)C2C(CC3CC=CC(OC4OC(CO)C(O)C(O)C4O)C3C2O)O1Aglycone:
CC1CC(=O)C2C(CC3CC=CC(O)C3C2O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 414.45 | Num_heavy_atoms: | 29 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD49971
Formula: C14H20O4
Smiles:
CC1CC(=O)C2C(CC3CC=CC(O)C3C2O)O1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 0 |
| MolWt: | 252.31 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
