Glycoside
GD008457
Name:
FILIASPAROSIDE CFormula:
C44H72O15Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O[C@@H]3CC[C@@]4(C)[C@H]5CC[C@]6(C)[C@H](C[C@H]7O[C@@]8(CC[C@@H](C)CO8)[C@H](C)[C@@H]76)[C@@H]5CC[C@@H]4C3)O[C@@H]2CO)C[C@H](O)[C@@H]1OAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(OC3OCC(O)C(O)C3O)C2O)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 841.05 | Num_heavy_atoms: | 59 |
| TPSA: | 215.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD01572
Formula: C27H44O3
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.79 | Num_rotatable_bonds: | 0 |
| MolWt: | 416.65 | Num_heavy_atoms: | 30 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
