Glycoside
GD037463
Name:
NoneFormula:
C27H44O12Smiles:
CC1=CC[C@H](O)[C@]2(C)[C@H](OC(=O)C[C@@](C)(O)CC(=O)O)C[C@H](C(C)C)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]12Aglycone:
CC1=CCC(O)C2(C)C(OC(=O)CC(C)(O)CC(=O)O)CC(C(C)C)C(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 560.64 | Num_heavy_atoms: | 39 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD21179
Formula: C21H34O7
Smiles:
CC1=CCC(O)C2(C)C(OC(=O)CC(C)(O)CC(=O)O)CC(C(C)C)C(O)C12| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 398.5 | Num_heavy_atoms: | 28 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
