Glycoside
GD137328
Name:
8-hydroxy-3,6,9-trimethylidene-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1H-cyclopenta[e]azulen-2-oneFormula:
C22H30O8Smiles:
C=C1CC(OC2OC(CO)C(O)C(O)C2O)C2C(=C)C(=O)CC2C2C(=C)C(O)CC12Aglycone:
C=C1CC(O)C2C(=C)C(=O)CC2C2C(=C)C(O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 422.47 | Num_heavy_atoms: | 30 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD54084
Formula: C16H20O3
Smiles:
C=C1CC(O)C2C(=C)C(=O)CC2C2C(=C)C(O)CC12| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.33 | Num_heavy_atoms: | 19 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
