Glycoside
GD135583
Name:
3-hydroxy-3-(hydroxymethyl)-9-methyl-6-methylidene-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydroazuleno[4,5-b]furan-2-oneFormula:
C21H32O10Smiles:
C=C1CCC2C(OC(=O)C2(O)CO)C2C1CC(OC1OC(CO)C(O)C(O)C1O)C2CAglycone:
C=C1CCC2C(OC(=O)C2(O)CO)C2C1CC(O)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.48 | Num_heavy_atoms: | 31 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD54824
Formula: C15H22O5
Smiles:
C=C1CCC2C(OC(=O)C2(O)CO)C2C1CC(O)C2C| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 282.34 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
