Glycoside
GD001216
Name:
WITHALONGOLIDE IFormula:
C34H50O11Smiles:
CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC(=O)[C@@]5(CO)[C@H]4CC[C@@]23C)C1Aglycone:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC=C5CC(O)CC(=O)C5(CO)C4CCC23C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 634.76 | Num_heavy_atoms: | 45 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD01263
Formula: C28H40O6
Smiles:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC=C5CC(O)CC(=O)C5(CO)C4CCC23C)C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.62 | Num_heavy_atoms: | 34 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
