Glycoside
GD133653
Name:
Fargoside BFormula:
C46H74O18Smiles:
CC1OC(OC2C(OCC3(C)C(O)CCC4(C)C3CCC3(C)C4CC=C4C5CC(C)(O)CCC5(C(=O)O)CCC43C)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 915.08 | Num_heavy_atoms: | 64 |
| TPSA: | 294.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD48672
Formula: C29H46O5
Smiles:
CC1(O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 4.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.68 | Num_heavy_atoms: | 34 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
