Glycoside
GD027237
Name:
8-hydroxy-3,9-dimethyl-6-methylidene-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydroazuleno[4,5-b]furan-2-oneFormula:
C21H32O9Smiles:
C=C1C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)C(=O)O[C@H]2[C@H]2[C@@H]1C[C@@H](O)[C@H]2CAglycone:
C=C1CC(O)C2C(C)C(=O)OC2C2C1CC(O)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 428.48 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD12912
Formula: C15H22O4
Smiles:
C=C1CC(O)C2C(C)C(=O)OC2C2C1CC(O)C2C| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 266.34 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
