Glycoside
GD134727
Name:
7,8-DehydrocerberinFormula:
C32H46O9Smiles:
COC1C(O)C(C)OC(OC2CCC3(C)C(CC=C4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1OC(C)=OAglycone:
CC12CCC(O)CC1CC=C1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1C(O)C(C)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 574.71 | Num_heavy_atoms: | 41 |
| TPSA: | 120.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD54500
Formula: C23H32O4
Smiles:
CC12CCC(O)CC1CC=C1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.51 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
