Glycoside
GD149997
Name:
3a-hydroxy-3,5a,9-trimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,5H,5aH,6H,7H,9aH,9bH-naphtho[1,2-b]furan-2-oneFormula:
C21H32O9Smiles:
CC1=CCC(OC2OC(CO)C(O)C(O)C2O)C2(C)CCC3(O)C(C)C(=O)OC3C12Aglycone:
CC1=CCC(O)C2(C)CCC3(O)C(C)C(=O)OC3C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 428.48 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD59947
Formula: C15H22O4
Smiles:
CC1=CCC(O)C2(C)CCC3(O)C(C)C(=O)OC3C12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 0 |
| MolWt: | 266.34 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
