Glycoside
GD153987
Name:
6-hydroxy-1a-(3-methylbut-2-en-1-yl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1aH,2H,7H,7aH-naphtho[2,3-b]oxirene-2,7-dioneFormula:
C21H24O10Smiles:
CC(C)=CCC12OC1C(=O)c1c(O)ccc(OC3OC(CO)C(O)C(O)C3O)c1C2=OAglycone:
CC(C)=CCC12OC1C(=O)c1c(O)ccc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.41 | Num_heavy_atoms: | 31 |
| TPSA: | 166.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD61199
Formula: C15H14O5
Smiles:
CC(C)=CCC12OC1C(=O)c1c(O)ccc(O)c1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 87.13 | NumAromaticRings: | 1 |
