Glycoside
GD107540
Name:
NoneFormula:
C27H38O10Smiles:
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[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=C1CCC1C2CCC2(C)C1CCC2(O)C(=O)COSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 522.59 | Num_heavy_atoms: | 37 |
| TPSA: | 170.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD44320
Formula: C21H30O4
Smiles:
CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(O)C(=O)CO| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 346.47 | Num_heavy_atoms: | 25 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
