Glycoside
GD003572
Name:
NoneFormula:
C27H39O10FSmiles:
CC12CC(O)[C@]3(F)C(CCC4=CC(=O)CCC43C)C1CC[C@@]2(O)C(=O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC(=O)C=C1CCC1C3CCC(O)(C(=O)CO)C3(C)CC(O)C12FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 542.6 | Num_heavy_atoms: | 38 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD03231
Formula: C21H29O5F
Smiles:
CC12CCC(=O)C=C1CCC1C3CCC(O)(C(=O)CO)C3(C)CC(O)C12F| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 380.46 | Num_heavy_atoms: | 27 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
