Glycoside
GD130933
Name:
2-{4,5-dihydroxy-7,7a-dimethyl-2-oxo-1aH,2H,4H,5H,6H,7H,7aH,7bH-naphtho[1,2-b]oxiren-1a-yl}prop-2-en-1-yl 2,3,4-trihydroxybutanoateFormula:
C19H26O9Smiles:
C=C(COC(=O)C(O)C(O)CO)C12OC1C1(C)C(=CC2=O)C(O)C(O)CC1CAglycone:
C=C(C)C12OC1C1(C)C(=CC2=O)C(O)C(O)CC1CSugarmoiety:
O=C(OO)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 398.41 | Num_heavy_atoms: | 28 |
| TPSA: | 157.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD53065
Formula: C15H20O4
Smiles:
C=C(C)C12OC1C1(C)C(=CC2=O)C(O)C(O)CC1C| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 70.06 | NumAromaticRings: | 0 |
