Glycoside
GD016324
Name:
NoneFormula:
C33H48O15Smiles:
C[C@@]12C=CC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.82 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 684.73 | Num_heavy_atoms: | 48 |
| TPSA: | 253.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD05969
Formula: C21H28O5
Smiles:
CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 360.45 | Num_heavy_atoms: | 26 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
