Glycoside
GD131920
Name:
4-hydroxy-4-(hydroxymethyl)-1-methyl-7-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-decahydroazulen-2-oneFormula:
C21H36O9Smiles:
CC1C(=O)CC2C1CC(C(C)(C)OC1OC(CO)C(O)C(O)C1O)CCC2(O)COAglycone:
CC1C(=O)CC2C1CC(C(C)(C)O)CCC2(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.51 | Num_heavy_atoms: | 30 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD53419
Formula: C15H26O4
Smiles:
CC1C(=O)CC2C1CC(C(C)(C)O)CCC2(O)CO| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 270.37 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
