Glycoside
GD020268
Name:
WITHALONGOLIDE JFormula:
C34H52O11Smiles:
CC1=C(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C[C@H]([C@H](C)[C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@H](O)C[C@H](O)[C@@]5(CO)[C@H]4CC[C@@]23C)OC1=OAglycone:
CC1=C(CO)CC(C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(CO)C4CCC23C)OC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 636.78 | Num_heavy_atoms: | 45 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD14025
Formula: C28H42O6
Smiles:
CC1=C(CO)CC(C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(CO)C4CCC23C)OC1=O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.64 | Num_heavy_atoms: | 34 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
