Glycoside
GD140531
Name:
7-ethenyl-2,5,8a,9-tetrahydroxy-1,1,4a,7-tetramethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-tetradecahydrophenanthren-3-oneFormula:
C26H42O11Smiles:
C=CC1(C)CC(O)C2C(O)(C1)C(O)CC1C(C)(C)C(O)C(=O)C(OC3OC(CO)C(O)C(O)C3O)C12CAglycone:
C=CC1(C)CC(O)C2C(O)(C1)C(O)CC1C(C)(C)C(O)C(=O)C(O)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 530.61 | Num_heavy_atoms: | 37 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD56659
Formula: C20H32O6
Smiles:
C=CC1(C)CC(O)C2C(O)(C1)C(O)CC1C(C)(C)C(O)C(=O)C(O)C12C| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 368.47 | Num_heavy_atoms: | 26 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
