Glycoside
GD010896
Name:
WITHMETELIN PFormula:
C34H50O12Smiles:
CC1=C(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(=O)O[C@H]([C@H](CO)C2CCC3C4C[C@H](O)[C@]5(O)CC=CC(=O)C5(C)C4CCC32C)C1Aglycone:
CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CCC23C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 650.76 | Num_heavy_atoms: | 46 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD08360
Formula: C28H40O7
Smiles:
CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CCC23C)C1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 488.62 | Num_heavy_atoms: | 35 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
