Glycoside
GD152476
Name:
1,3,20-Trihydroxywitha-5,24-Dienolide; (1α,3β,20R,22R)-Form, 3-O-β-D-GlucopyranosideFormula:
C34H52O10Smiles:
CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CC(O)C5(C)C4CCC32C)C1Aglycone:
CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC32C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 620.78 | Num_heavy_atoms: | 44 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD54510
Formula: C28H42O5
Smiles:
CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC32C)C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 458.64 | Num_heavy_atoms: | 33 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
