Glycoside
GD106726
Name:
NoneFormula:
C27H36O11Smiles:
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CO[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)COSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 536.57 | Num_heavy_atoms: | 38 |
| TPSA: | 187.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD44198
Formula: C21H28O5
Smiles:
CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 360.45 | Num_heavy_atoms: | 26 |
| TPSA: | 91.67 | NumAromaticRings: | 0 |
