Glycoside
GD136508
Name:
CerbertinFormula:
C32H44O11Smiles:
COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3C3OC3C3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1OC(C)=OAglycone:
CC12C(C3=CC(=O)OC3)CCC1(O)C1CCC3CC(O)CCC3(C=O)C1C1OC12Sugarmoiety:
COC1C(O)C(C)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 604.69 | Num_heavy_atoms: | 43 |
| TPSA: | 150.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD55185
Formula: C23H30O6
Smiles:
CC12C(C3=CC(=O)OC3)CCC1(O)C1CCC3CC(O)CCC3(C=O)C1C1OC12| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 402.49 | Num_heavy_atoms: | 29 |
| TPSA: | 96.36 | NumAromaticRings: | 0 |
