Glycoside
GD126848
Name:
1-[2-(2,6,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-en-1-yl)cyclopropyl]ethan-1-oneFormula:
C20H32O7Smiles:
CC(=O)C1CC1C1=C(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)CAglycone:
CC(=O)C1CC1C1=C(C)CC(O)CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 384.47 | Num_heavy_atoms: | 27 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD51348
Formula: C14H22O2
Smiles:
CC(=O)C1CC1C1=C(C)CC(O)CC1(C)C| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 222.33 | Num_heavy_atoms: | 16 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
