Glycoside
GD130007
Name:
5-ethenyl-1-(hydroxymethylidene)-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]-3,5,6,7-tetrahydro-1H-isochromen-7-oneFormula:
C17H20O9Smiles:
C=CC1C2=CCOC(=CO)C2=CC(=O)C1OC1OC(O)C(O)C(O)C1OAglycone:
C=CC1C2=CCOC(=CO)C2=CC(=O)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 368.34 | Num_heavy_atoms: | 26 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD52672
Formula: C12H12O4
Smiles:
C=CC1C2=CCOC(=CO)C2=CC(=O)C1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 220.22 | Num_heavy_atoms: | 16 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
