Glycoside
GD035288
Name:
NoneFormula:
C21H32O8Smiles:
CC1=CC(=O)C=C(CO)[C@]12CC[C@H](C(C)(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C2Aglycone:
CC1=CC(=O)C=C(CO)C12CCC(C(C)(C)O)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.48 | Num_heavy_atoms: | 29 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD15483
Formula: C15H22O3
Smiles:
CC1=CC(=O)C=C(CO)C12CCC(C(C)(C)O)C2| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
