Glycoside
GD007561
Name:
QUADRANOSIDE IVFormula:
C36H58O10Smiles:
C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@@H]12Aglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 650.85 | Num_heavy_atoms: | 46 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD06139
Formula: C30H48O5
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
