Glycoside
GD133343
Name:
5'-(5,6-dihydroxy-5,6-dimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-6',10'-dimethyl-13'-oxaspiro[oxolane-2,11'-tetracyclo[7.5.0.0²,â¶.0¹²,¹â´]tetradecan]-8'-en-5-oneFormula:
C33H52O11Smiles:
CC(C(CC(C)(O)C(C)(C)O)OC1OC(CO)C(O)C(O)C1O)C1CCC2C3C(=CCC12C)C(C)C1(CCC(=O)O1)C1OC31Aglycone:
CC(C(O)CC(C)(O)C(C)(C)O)C1CCC2C3C(=CCC12C)C(C)C1(CCC(=O)O1)C1OC31Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 624.77 | Num_heavy_atoms: | 44 |
| TPSA: | 178.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD53972
Formula: C27H42O6
Smiles:
CC(C(O)CC(C)(O)C(C)(C)O)C1CCC2C3C(=CCC12C)C(C)C1(CCC(=O)O1)C1OC31| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.63 | Num_heavy_atoms: | 33 |
| TPSA: | 99.52 | NumAromaticRings: | 0 |
