Glycoside
GD147881
Name:
2-hydroxy-3,5,5-trimethyl-4-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl)cyclohex-3-en-1-oneFormula:
C19H30O8Smiles:
CC1=C(C=CC(C)OC2OC(CO)C(O)C(O)C2O)C(C)(C)CC(=O)C1OAglycone:
CC1=C(C=CC(C)O)C(C)(C)CC(=O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.44 | Num_heavy_atoms: | 27 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD59204
Formula: C13H20O3
Smiles:
CC1=C(C=CC(C)O)C(C)(C)CC(=O)C1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 224.3 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
