Glycoside
GD123722
Name:
PentalinonsideFormula:
C28H42O7Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3CCC3(C)C5C6COC43OC5CO6)C2)OC(C)C1OAglycone:
CC12CCC(O)CC1=CCC1C2CCC2(C)C3C4COC12OC3CO4Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 490.64 | Num_heavy_atoms: | 35 |
| TPSA: | 75.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD49951
Formula: C21H30O4
Smiles:
CC12CCC(O)CC1=CCC1C2CCC2(C)C3C4COC12OC3CO4| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 346.47 | Num_heavy_atoms: | 25 |
| TPSA: | 47.92 | NumAromaticRings: | 0 |
