Glycoside
GD131250
Name:
(6-{[7-(acetyloxy)-15-[1-(3-hydroxy-4,4-dimethyloxetan-2-yl)propan-2-yl]-2,6,6,10-tetramethylpentacyclo[12.3.1.0¹,¹â´.0²,¹¹.0âµ,¹â°]octadecan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetateFormula:
C40H64O11Smiles:
CC(=O)OCC1OC(OC2CC3C(C)(C)C(OC(C)=O)CCC3(C)C3CCC45CC4(CCC5C(C)CC4OC(C)(C)C4O)C23C)C(O)C(O)C1OAglycone:
CC(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC24CC23CCC4C(C)CC2OC(C)(C)C2O)C1(C)C.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 720.94 | Num_heavy_atoms: | 51 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD53177
Formula: C32H52O5
Smiles:
CC(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC24CC23CCC4C(C)CC2OC(C)(C)C2O)C1(C)C| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 516.76 | Num_heavy_atoms: | 37 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
