Glycoside
GD156267
Name:
NoneFormula:
C60H88O21Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3C(OC(C)=O)C(C(=O)OC=Cc3ccccc3)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1Aglycone:
CC(=O)OC1C2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(C(C)=O)C2(C)C1C(=O)OC=Cc1ccccc1Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1Other Identifiers
Properties
| HBA: | 21 | RingCount: | 9 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 17 |
| MolWt: | 1145.34 | Num_heavy_atoms: | 81 |
| TPSA: | 261.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD61892
Formula: C32H40O8
Smiles:
CC(=O)OC1C2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(C(C)=O)C2(C)C1C(=O)OC=Cc1ccccc1| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | 3.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 552.66 | Num_heavy_atoms: | 40 |
| TPSA: | 130.36 | NumAromaticRings: | 1 |
